C779-1795 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

C779-1795 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide
C779-1795 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1795
1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]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

C779-1795

Molecular Formula

C26H25ClN4O2S (C26 H25 ClN4 O2 S)

Compound Name

1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-{4-[(4-chlorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1Cl)=O)NCc1ncccc1

InChI

InChI=1S/C26H25ClN4O2S/c27-20-6-4-18(5-7-20)17-31-22-10-14-34-24(22)15-23(31)26(33)30-12-8-19(9-13-30)25(32)29-16-21-3-1-2-11-28-21/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,29,32)

InChI Key

BQXDUJKYMDPOHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.43

Polar Surface Area

52.316

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C779-1795 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C779-1795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1795?
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What is the minimum amount of C779-1795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1795
  • 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 C779-1795 available by request