C795-0019 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-cyclopentylpiperidine-4-carboxamide

C795-0019 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-cyclopentylpiperidine-4-carboxamide
C795-0019 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-cyclopentylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0019
1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-cyclopentylpiperidine-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

C795-0019

Molecular Formula

C26H29ClFN3O3 (C26 H29 ClFN3 O3)

Compound Name

1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-cyclopentylpiperidine-4-carboxamide

IUPAC name

1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[32-b]pyrrole-5-carbonyl}-N-cyclopentylpiperidine-4-carboxamide

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(NC2CCCC2)=O)=O)c2)c2o1

InChI

InChI=1S/C26H29ClFN3O3/c1-16-13-22-24(34-16)14-23(31(22)15-19-20(27)7-4-8-21(19)28)26(33)30-11-9-17(10-12-30)25(32)29-18-5-2-3-6-18/h4,7-8,13-14,17-18H,2-3,5-6,9-12,15H2,1H3,(H,29,32)

InChI Key

QNHUNGJVAPJWNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.86

Polar Surface Area

49.831

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C795-0019 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0019?
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What is the minimum amount of C795-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0019
  • 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 C795-0019 available by request