C464-1159 Screening compound: N-(3-fluorophenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

C464-1159 Screening compound: N-(3-fluorophenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide
C464-1159 Screening compound: N-(3-fluorophenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1159
N-(3-fluorophenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

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

C464-1159

Molecular Formula

C26H26FN3O4S (C26 H26 FN3 O4 S)

Compound Name

N-(3-fluorophenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

IUPAC name

N-(3-fluorophenyl)-3-phenyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)propanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(Nc1cc(F)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C26H26FN3O4S/c1-2-25(31)30-14-13-19-16-22(11-12-24(19)30)35(33,34)29-23(15-18-7-4-3-5-8-18)26(32)28-21-10-6-9-20(27)17-21/h3-12,16-17,23,29H,2,13-15H2,1H3,(H,28,32)/t23-/m0/s1

InChI Key

KUISXQNVAUGCNM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14760236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.20

Polar Surface Area

80.355

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C464-1159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C464-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1159?
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What is the minimum amount of C464-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1159
  • 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 C464-1159 available by request