G196-0399 Screening compound: 1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-5-amine

G196-0399 Screening compound: 1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-5-amine
G196-0399 Screening compound: 1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G196-0399
1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-5-amine

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

G196-0399

Molecular Formula

C18H18FN3O3S2 (C18 H18 FN3 O3 S2)

Compound Name

1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-5-amine

IUPAC name

1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-5-amine

SMILES

COc(cc1)ccc1S(c1c(N)n(Cc2cc(F)ccc2)nc1SC)(=O)=O

InChI

InChI=1S/C18H18FN3O3S2/c1-25-14-6-8-15(9-7-14)27(23,24)16-17(20)22(21-18(16)26-2)11-12-4-3-5-13(19)10-12/h3-10H,11,20H2,1-2H3

InChI Key

CYPOYILSIYYTKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.40

Polar Surface Area

70.370

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G196-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G196-0399?
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What is the minimum amount of G196-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G196-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G196-0399
  • 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 G196-0399 available by request