1611-4202 Screening compound: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[(pyridin-3-yl)amino]ethyl}prop-2-enamide

1611-4202 Screening compound: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[(pyridin-3-yl)amino]ethyl}prop-2-enamide
1611-4202 Screening compound: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[(pyridin-3-yl)amino]ethyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4202
(2E)-3-phenyl-N-{2,2,2-trichloro-1-[(pyridin-3-yl)amino]ethyl}prop-2-enamide

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

1611-4202

Molecular Formula

C16H14Cl3N3O (C16 H14 Cl3 N3 O)

Compound Name

(2E)-3-phenyl-N-{2,2,2-trichloro-1-[(pyridin-3-yl)amino]ethyl}prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-{222-trichloro-1-[(pyridin-3-yl)amino]ethyl}prop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)Nc1cnccc1

InChI

InChI=1S/C16H14Cl3N3O/c17-16(18,19)15(21-13-7-4-10-20-11-13)22-14(23)9-8-12-5-2-1-3-6-12/h1-11,15,21H,(H,22,23)/t15-/m1/s1

InChI Key

PXZVTXPAJAFLKU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00702727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.26

Polar Surface Area

42.754

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

1611-4202 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1611-4202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4202?
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What is the minimum amount of 1611-4202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4202
  • 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 1611-4202 available by request