1490-0063 Screening compound: N-{2,2,2-trichloro-1-[(3-nitrophenyl)amino]ethyl}pyridine-3-carboxamide

1490-0063 Screening compound: N-{2,2,2-trichloro-1-[(3-nitrophenyl)amino]ethyl}pyridine-3-carboxamide
1490-0063 Screening compound: N-{2,2,2-trichloro-1-[(3-nitrophenyl)amino]ethyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0063
N-{2,2,2-trichloro-1-[(3-nitrophenyl)amino]ethyl}pyridine-3-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

1490-0063

Molecular Formula

C14H11Cl3N4O3 (C14 H11 Cl3 N4 O3)

Compound Name

N-{2,2,2-trichloro-1-[(3-nitrophenyl)amino]ethyl}pyridine-3-carboxamide

IUPAC name

N-{222-trichloro-1-[(3-nitrophenyl)amino]ethyl}pyridine-3-carboxamide

SMILES

[O-][N+](c1cccc(NC(C(Cl)(Cl)Cl)NC(c2cnccc2)=O)c1)=O

InChI

InChI=1S/C14H11Cl3N4O3/c15-14(16,17)13(20-12(22)9-3-2-6-18-8-9)19-10-4-1-5-11(7-10)21(23)24/h1-8,13,19H,(H,20,22)/t13-/m1/s1

InChI Key

LHINQWHBMNBRJG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00382502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-3.65

Polar Surface Area

76.349

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

1490-0063 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 1490-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0063?
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What is the minimum amount of 1490-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0063
  • 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 1490-0063 available by request