3754-0897 Screening compound: 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline

3754-0897 Screening compound: 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
3754-0897 Screening compound: 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3754-0897
4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline

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

3754-0897

Molecular Formula

C15H13ClN2O (C15 H13 ClN2 O)

Compound Name

4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline

IUPAC name

4-chloro-3-(5-ethyl-13-benzoxazol-2-yl)aniline

SMILES

CCc(cc1)cc2c1oc(-c(cc(cc1)N)c1Cl)n2

InChI

InChI=1S/C15H13ClN2O/c1-2-9-3-6-14-13(7-9)18-15(19-14)11-8-10(17)4-5-12(11)16/h3-8H,2,17H2,1H3

InChI Key

GVUPCYYOTYBDCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01114831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.57

Polar Surface Area

37.855

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3754-0897 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3754-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3754-0897?
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What is the minimum amount of 3754-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3754-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3754-0897
  • 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 3754-0897 available by request