C795-0317 Screening compound: N-(4-chlorobenzyl)-1-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-4-piperidinecarboxamide

C795-0317 Screening compound: N-(4-chlorobenzyl)-1-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-4-piperidinecarboxamide
C795-0317 Screening compound: N-(4-chlorobenzyl)-1-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0317
N-(4-chlorobenzyl)-1-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-4-piperidinecarboxamide

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

C795-0317

Molecular Formula

C22H22ClN3O2S (C22 H22 ClN3 O2 S)

Compound Name

N-(4-chlorobenzyl)-1-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-4-piperidinecarboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-1-[3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c(scc1)c1-n1cccc1)=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-18-5-3-16(4-6-18)15-24-21(27)17-7-12-26(13-8-17)22(28)20-19(9-14-29-20)25-10-1-2-11-25/h1-6,9-11,14,17H,7-8,12-13,15H2,(H,24,27)

InChI Key

WPTFDFLPPCRRSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.95

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

3.692

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.23

Polar Surface Area

46.003

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with C795-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0317?
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What is the minimum amount of C795-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0317
  • 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 C795-0317 available by request