K310-0040 Screening compound: 2-(3-bromophenyl)-N~7~-(2-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

K310-0040 Screening compound: 2-(3-bromophenyl)-N~7~-(2-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
K310-0040 Screening compound: 2-(3-bromophenyl)-N~7~-(2-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K310-0040
2-(3-bromophenyl)-N~7~-(2-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

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

K310-0040

Molecular Formula

C23H17BrN4O3S2 (C23 H17 BrN4 O3 S2)

Compound Name

2-(3-bromophenyl)-N~7~-(2-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

12-(3-bromophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxamide

SMILES

Cc1c(C(Nc(cccc2)c2OC)=O)sc(N=C2SCC(c3cccc(Br)c3)=NN22)c1C2=O

InChI

InChI=1S/C23H17BrN4O3S2/c1-12-18-21(33-19(12)20(29)25-15-8-3-4-9-17(15)31-2)26-23-28(22(18)30)27-16(11-32-23)13-6-5-7-14(24)10-13/h3-10H,11H2,1-2H3,(H,25,29)

InChI Key

JBDUGUATDLUEHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-5.06

Polar Surface Area

67.489

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K310-0040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K310-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0040?
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What is the minimum amount of K310-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0040
  • 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 K310-0040 available by request