C795-0115 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide

C795-0115 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide
C795-0115 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0115
1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-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

C795-0115

Molecular Formula

C28H34ClFN4O4 (C28 H34 ClFN4 O4)

Compound Name

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

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(NCCCN2CCOCC2)=O)=O)c2)c2o1

InChI

InChI=1S/C28H34ClFN4O4/c1-19-16-24-26(38-19)17-25(34(24)18-21-22(29)4-2-5-23(21)30)28(36)33-10-6-20(7-11-33)27(35)31-8-3-9-32-12-14-37-15-13-32/h2,4-5,16-17,20H,3,6-15,18H2,1H3,(H,31,35)

InChI Key

BZWMBSKMQMRKFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-3.43

Polar Surface Area

61.473

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C795-0115 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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 C795-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0115?
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What is the minimum amount of C795-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0115
  • 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 C795-0115 available by request