C464-1355 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide

C464-1355 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide
C464-1355 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1355
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1-propanoyl-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

C464-1355

Molecular Formula

C25H31ClN4O4S (C25 H31 ClN4 O4 S)

Compound Name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1-propanoyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NCCC(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)(=O)=O)=O

InChI

InChI=1S/C25H31ClN4O4S/c1-3-24(31)30-11-9-19-16-21(6-7-22(19)30)35(33,34)27-10-8-25(32)29-14-12-28(13-15-29)23-17-20(26)5-4-18(23)2/h4-7,16-17,27H,3,8-15H2,1-2H3

InChI Key

SFQVPQCQAYCZAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.86

Polar Surface Area

76.613

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C464-1355 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C464-1355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1355?
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What is the minimum amount of C464-1355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1355
  • 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 C464-1355 available by request