G336-0394 Screening compound: N-(2,5-dimethylphenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

G336-0394 Screening compound: N-(2,5-dimethylphenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide
G336-0394 Screening compound: N-(2,5-dimethylphenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G336-0394
N-(2,5-dimethylphenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

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

G336-0394

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

N-(2,5-dimethylphenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

IUPAC name

N-(25-dimethylphenyl)-4-oxo-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}piperazin-1-yl)butanamide

SMILES

Cc1cc(NC(CCC(N(CC2)CCN2c2nc3cccnc3s2)=O)=O)c(C)cc1

InChI

InChI=1S/C22H25N5O2S/c1-15-5-6-16(2)18(14-15)24-19(28)7-8-20(29)26-10-12-27(13-11-26)22-25-17-4-3-9-23-21(17)30-22/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,24,28)

InChI Key

ZDPYHEZZHJULAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.73

Polar Surface Area

61.012

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G336-0394 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G336-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G336-0394?
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What is the minimum amount of G336-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G336-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G336-0394
  • 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 G336-0394 available by request