0101-0003 Screening compound: (2E)-1-(4-chlorophenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one

0101-0003 Screening compound: (2E)-1-(4-chlorophenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
0101-0003 Screening compound: (2E)-1-(4-chlorophenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0101-0003
(2E)-1-(4-chlorophenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one

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

0101-0003

Molecular Formula

C15H10ClN3O (C15 H10 ClN3 O)

Compound Name

(2E)-1-(4-chlorophenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one

IUPAC name

(2E)-1-(4-chlorophenyl)-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one

SMILES

O=C(/C=C/c(cc1)ccc1N1N=N1)c(cc1)ccc1Cl

InChI

InChI=1S/C15H10ClN3O/c16-13-6-4-12(5-7-13)15(20)10-3-11-1-8-14(9-2-11)19-17-18-19/h1-10H

InChI Key

GBQZNIJAZCAWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-4.47

Polar Surface Area

38.478

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0101-0003 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0101-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0101-0003?
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What is the minimum amount of 0101-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0101-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0101-0003
  • 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 0101-0003 available by request