D491-8998 Screening compound: N-({4-[(4-chlorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-yl)thiophene-2-carboxamide

D491-8998 Screening compound: N-({4-[(4-chlorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-yl)thiophene-2-carboxamide
D491-8998 Screening compound: N-({4-[(4-chlorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-8998
N-({4-[(4-chlorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-yl)thiophene-2-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

D491-8998

Molecular Formula

C24H19ClN2O2S (C24 H19 ClN2 O2 S)

Compound Name

N-({4-[(4-chlorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-yl)thiophene-2-carboxamide

IUPAC name

N-({4-[(4-chlorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-yl)thiophene-2-carboxamide

SMILES

O=C(c1cccs1)N(Cc(cc1)ccc1OCc(cc1)ccc1Cl)c1ncccc1

InChI

InChI=1S/C24H19ClN2O2S/c25-20-10-6-19(7-11-20)17-29-21-12-8-18(9-13-21)16-27(23-5-1-2-14-26-23)24(28)22-4-3-15-30-22/h1-15H,16-17H2

InChI Key

IYDOZFKJVSLCLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.096

Distribution Coefficient, logD

6.096

Water Solubility, LogSw

-6.24

Polar Surface Area

32.347

Acid Dissociation Constant (pKa)

23.89

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D491-8998 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 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 D491-8998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-8998?
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What is the minimum amount of D491-8998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-8998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-8998
  • 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 D491-8998 available by request