K906-4801 Screening compound: N-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropanecarbonyl-N-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

K906-4801 Screening compound: N-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropanecarbonyl-N-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
K906-4801 Screening compound: N-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropanecarbonyl-N-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4801
N-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropanecarbonyl-N-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole-5-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

K906-4801

Molecular Formula

C33H31ClF3N3O6S2 (C33 H31 ClF3 N3 O6 S2)

Compound Name

N-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropanecarbonyl-N-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclopropanecarbonyl-N-[(1-cyclopropanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-2-methyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(c1cc(Cl)c(C(F)(F)F)cc1)S(c(cc1)cc(CC2C)c1N2C(C1CC1)=O)(=O)=O)(=O)=O

InChI

InChI=1S/C33H31ClF3N3O6S2/c1-18-13-22-15-25(8-11-29(22)38(18)31(41)20-3-4-20)47(43,44)40(24-7-10-27(28(34)17-24)33(35,36)37)48(45,46)26-9-12-30-23(16-26)14-19(2)39(30)32(42)21-5-6-21/h7-12,15-21H,3-6,13-14H2,1-2H3

InChI Key

NOWNHYSWKRHCMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

722.21

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.626

Distribution Coefficient, logD

6.626

Water Solubility, LogSw

-6.32

Polar Surface Area

91.285

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.40

References: we are preparing a list of scientific research reports with K906-4801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4801?
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What is the minimum amount of K906-4801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4801
  • 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 K906-4801 available by request