C795-0018 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-4-(pyrrolidine-1-carbonyl)piperidine

C795-0018 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-4-(pyrrolidine-1-carbonyl)piperidine
C795-0018 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-4-(pyrrolidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0018
1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-4-(pyrrolidine-1-carbonyl)piperidine

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

C795-0018

Molecular Formula

C25H27ClFN3O3 (C25 H27 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(N2CCCC2)=O)=O)c2)c2o1

InChI

InChI=1S/C25H27ClFN3O3/c1-16-13-21-23(33-16)14-22(30(21)15-18-19(26)5-4-6-20(18)27)25(32)29-11-7-17(8-12-29)24(31)28-9-2-3-10-28/h4-6,13-14,17H,2-3,7-12,15H2,1H3

InChI Key

IOKQZENAHJPWLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.52

Polar Surface Area

42.341

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C795-0018 in Drug Discovery

Included in Screening Libraries

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)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C795-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0018?
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What is the minimum amount of C795-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0018
  • 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 C795-0018 available by request