8602-0032 Screening compound: 4-amino-N-[1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzene-1-sulfonamide

8602-0032 Screening compound: 4-amino-N-[1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzene-1-sulfonamide
8602-0032 Screening compound: 4-amino-N-[1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0032
4-amino-N-[1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzene-1-sulfonamide

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

8602-0032

Molecular Formula

C23H21ClF3N3O4S (C23 H21 ClF3 N3 O4 S)

Compound Name

4-amino-N-[1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzene-1-sulfonamide

IUPAC name

4-amino-N-[1-(4-chlorophenyl)-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl]benzene-1-sulfonamide

SMILES

CC(C)(CC(N(C1=O)c(cc2)ccc2Cl)=C2C1(C(F)(F)F)NS(c(cc1)ccc1N)(=O)=O)CC2=O

InChI

InChI=1S/C23H21ClF3N3O4S/c1-21(2)11-17-19(18(31)12-21)22(23(25,26)27,20(32)30(17)15-7-3-13(24)4-8-15)29-35(33,34)16-9-5-14(28)6-10-16/h3-10,29H,11-12,28H2,1-2H3/t22-/m0/s1

InChI Key

TUIKZTWGBYKFDR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06001133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

-0.342

Water Solubility, LogSw

-3.62

Polar Surface Area

92.075

Acid Dissociation Constant (pKa)

3.80

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8602-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0032?
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What is the minimum amount of 8602-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0032
  • 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 8602-0032 available by request