G397-0433 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

G397-0433 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide
G397-0433 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0433
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}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

G397-0433

Molecular Formula

C23H33N7O2S (C23 H33 N7 O2 S)

Compound Name

N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

IUPAC name

N-{2-[4-(23-dimethylphenyl)piperazin-1-yl]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]amino}acetamide

SMILES

Cc1cccc(N2CCN(CCNC(CN(C)c3nnc(N(CCC4)C4=O)s3)=O)CC2)c1C

InChI

InChI=1S/C23H33N7O2S/c1-17-6-4-7-19(18(17)2)29-14-12-28(13-15-29)11-9-24-20(31)16-27(3)22-25-26-23(33-22)30-10-5-8-21(30)32/h4,6-7H,5,8-16H2,1-3H3,(H,24,31)

InChI Key

LCSKGAQIOWDHHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-2.67

Polar Surface Area

74.398

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

G397-0433 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 G397-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0433?
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What is the minimum amount of G397-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0433
  • 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 G397-0433 available by request