C795-0453 Screening compound: N-(3-chloro-2-methylphenyl)-1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C795-0453 Screening compound: N-(3-chloro-2-methylphenyl)-1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C795-0453 Screening compound: N-(3-chloro-2-methylphenyl)-1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0453
N-(3-chloro-2-methylphenyl)-1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}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

C795-0453

Molecular Formula

C27H25ClFN3O2S (C27 H25 ClFN3 O2 S)

Compound Name

N-(3-chloro-2-methylphenyl)-1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-1-{4-[(4-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

Cc(c(NC(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1F)=O)=O)ccc1)c1Cl

InChI

InChI=1S/C27H25ClFN3O2S/c1-17-21(28)3-2-4-22(17)30-26(33)19-9-12-31(13-10-19)27(34)24-15-25-23(11-14-35-25)32(24)16-18-5-7-20(29)8-6-18/h2-8,11,14-15,19H,9-10,12-13,16H2,1H3,(H,30,33)

InChI Key

FQOKSLAMWIZLST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.663

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.91

Polar Surface Area

40.753

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C795-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0453?
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What is the minimum amount of C795-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0453
  • 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 C795-0453 available by request