D633-0181 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

D633-0181 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
D633-0181 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D633-0181
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

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

D633-0181

Molecular Formula

C16H12N6O3S2 (C16 H12 N6 O3 S2)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-4-(1H-1234-tetrazol-1-yl)benzamide

SMILES

CS(c(cc1)cc2c1nc(NC(c(cc1)ccc1-n1nnnc1)=O)s2)(=O)=O

InChI

InChI=1S/C16H12N6O3S2/c1-27(24,25)12-6-7-13-14(8-12)26-16(18-13)19-15(23)10-2-4-11(5-3-10)22-9-17-20-21-22/h2-9H,1H3,(H,18,19,23)

InChI Key

WVOAFAMWMAHYHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09281710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.834

Distribution Coefficient, logD

1.825

Water Solubility, LogSw

-2.63

Polar Surface Area

102.605

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D633-0181 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D633-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D633-0181?
Check Price and Availability of D633-0181, 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 D633-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D633-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D633-0181
  • 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 D633-0181 available by request