C795-0487 Screening compound: N-[(2-bromophenyl)methyl]-1-[3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide

C795-0487 Screening compound: N-[(2-bromophenyl)methyl]-1-[3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide
C795-0487 Screening compound: N-[(2-bromophenyl)methyl]-1-[3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0487
N-[(2-bromophenyl)methyl]-1-[3-(1H-pyrrol-1-yl)thiophene-2-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

C795-0487

Molecular Formula

C22H22BrN3O2S (C22 H22 BrN3 O2 S)

Compound Name

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

IUPAC name

N-[(2-bromophenyl)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(cccc1)c1Br

InChI

InChI=1S/C22H22BrN3O2S/c23-18-6-2-1-5-17(18)15-24-21(27)16-7-12-26(13-8-16)22(28)20-19(9-14-29-20)25-10-3-4-11-25/h1-6,9-11,14,16H,7-8,12-13,15H2,(H,24,27)

InChI Key

XAOYAEXNGLOWFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.41

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

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.12

Polar Surface Area

46.003

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C795-0487 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0487?
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What is the minimum amount of C795-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0487
  • 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 C795-0487 available by request