1182-0081 Screening compound: (3E)-N-(2-chlorophenyl)-3-{[(pyridin-4-yl)formamido]imino}butanamide

1182-0081 Screening compound: (3E)-N-(2-chlorophenyl)-3-{[(pyridin-4-yl)formamido]imino}butanamide
1182-0081 Screening compound: (3E)-N-(2-chlorophenyl)-3-{[(pyridin-4-yl)formamido]imino}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1182-0081
(3E)-N-(2-chlorophenyl)-3-{[(pyridin-4-yl)formamido]imino}butanamide

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

1182-0081

Molecular Formula

C16H15ClN4O2 (C16 H15 ClN4 O2)

Compound Name

(3E)-N-(2-chlorophenyl)-3-{[(pyridin-4-yl)formamido]imino}butanamide

IUPAC name

(3E)-N-(2-chlorophenyl)-3-{[(pyridin-4-yl)formamido]imino}butanamide

SMILES

C/C(/CC(Nc(cccc1)c1Cl)=O)=N\NC(c1ccncc1)=O

InChI

InChI=1S/C16H15ClN4O2/c1-11(20-21-16(23)12-6-8-18-9-7-12)10-15(22)19-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,19,22)(H,21,23)

InChI Key

HKVSCXZXIBUAHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00750199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.454

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-2.28

Polar Surface Area

66.803

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1182-0081 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1182-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1182-0081?
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What is the minimum amount of 1182-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1182-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1182-0081
  • 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 1182-0081 available by request