C795-0094 Screening compound: 1-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C795-0094 Screening compound: 1-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
C795-0094 Screening compound: 1-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0094
1-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

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

C795-0094

Molecular Formula

C32H31ClF4N4O3 (C32 H31 ClF4 N4 O3)

Compound Name

1-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[32-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)=O)c2)c2o1

InChI

InChI=1S/C32H31ClF4N4O3/c1-20-16-27-29(44-20)18-28(41(27)19-24-25(33)6-3-7-26(24)34)31(43)39-10-8-21(9-11-39)30(42)40-14-12-38(13-15-40)23-5-2-4-22(17-23)32(35,36)37/h2-7,16-18,21H,8-15,19H2,1H3

InChI Key

FTFFOECWHCYKDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.100

Distribution Coefficient, logD

6.100

Water Solubility, LogSw

-6.23

Polar Surface Area

45.235

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C795-0094 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C795-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0094?
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What is the minimum amount of C795-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0094
  • 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 C795-0094 available by request