G336-0332 Screening compound: 3-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

G336-0332 Screening compound: 3-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile
G336-0332 Screening compound: 3-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G336-0332
3-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

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

G336-0332

Molecular Formula

C17H15N5O2S2 (C17 H15 N5 O2 S2)

Compound Name

3-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

IUPAC name

3-[(4-{[13]thiazolo[54-b]pyridin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

SMILES

N#Cc1cccc(S(N(CC2)CCN2c2nc(cccn3)c3s2)(=O)=O)c1

InChI

InChI=1S/C17H15N5O2S2/c18-12-13-3-1-4-14(11-13)26(23,24)22-9-7-21(8-10-22)17-20-15-5-2-6-19-16(15)25-17/h1-6,11H,7-10H2

InChI Key

XCZTVMQPWYJKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.92

Polar Surface Area

71.207

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G336-0332 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G336-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G336-0332?
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What is the minimum amount of G336-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G336-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G336-0332
  • 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 G336-0332 available by request