C795-0126 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C795-0126 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-4-carboxamide
C795-0126 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0126
1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]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

C795-0126

Molecular Formula

C28H34ClFN4O3 (C28 H34 ClFN4 O3)

Compound Name

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

IUPAC name

1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[32-b]pyrrole-5-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(NCCCN2CCCC2)=O)=O)c2)c2o1

InChI

InChI=1S/C28H34ClFN4O3/c1-19-16-24-26(37-19)17-25(34(24)18-21-22(29)6-4-7-23(21)30)28(36)33-14-8-20(9-15-33)27(35)31-10-5-13-32-11-2-3-12-32/h4,6-7,16-17,20H,2-3,5,8-15,18H2,1H3,(H,31,35)

InChI Key

LACHGRWLLPRICR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-4.18

Polar Surface Area

53.930

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C795-0126 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0126?
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What is the minimum amount of C795-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0126
  • 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 C795-0126 available by request