C256-0651 Screening compound: 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

C256-0651 Screening compound: 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide
C256-0651 Screening compound: 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C256-0651
1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

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

C256-0651

Molecular Formula

C23H33BrN4O4S (C23 H33 BrN4 O4 S)

Compound Name

1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

SMILES

CCC(N(CCc1c2)c1cc(S(N(CC1)CCC1C(NCCN1CCCC1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C23H33BrN4O4S/c1-2-22(29)28-13-7-18-15-19(24)21(16-20(18)28)33(31,32)27-11-5-17(6-12-27)23(30)25-8-14-26-9-3-4-10-26/h15-17H,2-14H2,1H3,(H,25,30)

InChI Key

XHWWYBALYZQVLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

-0.063

Water Solubility, LogSw

-2.62

Polar Surface Area

75.976

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

C256-0651 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C256-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C256-0651?
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What is the minimum amount of C256-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C256-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C256-0651
  • 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 C256-0651 available by request