C795-0111 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)piperazine

C795-0111 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)piperazine
C795-0111 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0111
1-(5-chloro-2-methylphenyl)-4-(1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)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

C795-0111

Molecular Formula

C32H33Cl2FN4O3 (C32 H33 Cl2 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)=O)c2)c2o1

InChI

InChI=1S/C32H33Cl2FN4O3/c1-20-6-7-23(33)17-27(20)36-12-14-38(15-13-36)31(40)22-8-10-37(11-9-22)32(41)29-18-30-28(16-21(2)42-30)39(29)19-24-25(34)4-3-5-26(24)35/h3-7,16-18,22H,8-15,19H2,1-2H3

InChI Key

DSXDTOAHFNAHNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.582

Distribution Coefficient, logD

6.582

Water Solubility, LogSw

-6.19

Polar Surface Area

44.934

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C795-0111 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with C795-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0111?
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What is the minimum amount of C795-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0111
  • 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 C795-0111 available by request