K906-3702 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

K906-3702 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide
K906-3702 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3702
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K906-3702

Molecular Formula

C20H19N5O6S2 (C20 H19 N5 O6 S2)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(N-methyl2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamido)acetamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-(N-methyl25-dioxo-2345-tetrahydro-1H-14-benzodiazepine-7-sulfonamido)acetamide

SMILES

CN(CC(Nc1nc(ccc(OC)c2)c2s1)=O)S(c(cc1)cc(C(NC2)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C20H19N5O6S2/c1-25(10-18(27)24-20-23-15-5-3-11(31-2)7-16(15)32-20)33(29,30)12-4-6-14-13(8-12)19(28)21-9-17(26)22-14/h3-8H,9-10H2,1-2H3,(H,21,28)(H,22,26)(H,23,24,27)

InChI Key

LVNQMNVZMSDMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

1.775

Water Solubility, LogSw

-3.24

Polar Surface Area

123.420

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K906-3702 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K906-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3702?
Check Price and Availability of K906-3702, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3702
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K906-3702 available by request