C779-1796 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-3-yl)methyl]piperidine-4-carboxamide

C779-1796 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-3-yl)methyl]piperidine-4-carboxamide
C779-1796 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-3-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1796
1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[(pyridin-3-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

C779-1796

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-3-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-{4-[(4-chlorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}-N-[(pyridin-3-yl)methyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1Cl)=O)NCc1cnccc1

InChI

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

InChI Key

IWCCHFJUGCQNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119399

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

3.583

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.82

Polar Surface Area

52.290

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C779-1796 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C779-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1796?
Check Price and Availability of C779-1796, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C779-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1796
  • 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 C779-1796 available by request