G196-0335 Screening compound: 2-[5-amino-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide

G196-0335 Screening compound: 2-[5-amino-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide
G196-0335 Screening compound: 2-[5-amino-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-0335
2-[5-amino-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)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

G196-0335

Molecular Formula

C21H24N4O3S2 (C21 H24 N4 O3 S2)

Compound Name

2-[5-amino-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide

IUPAC name

2-[5-amino-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-N-(3-ethylphenyl)acetamide

SMILES

CCc1cccc(NC(Cn(c(N)c2S(c3ccc(C)cc3)(=O)=O)nc2SC)=O)c1

InChI

InChI=1S/C21H24N4O3S2/c1-4-15-6-5-7-16(12-15)23-18(26)13-25-20(22)19(21(24-25)29-3)30(27,28)17-10-8-14(2)9-11-17/h5-12H,4,13,22H2,1-3H3,(H,23,26)

InChI Key

HTBSRWFDPMVMDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-3.94

Polar Surface Area

85.976

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G196-0335 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 G196-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-0335?
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What is the minimum amount of G196-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-0335
  • 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 G196-0335 available by request