7840-3276 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-chloronaphthalene-1-carboxamide

7840-3276 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-chloronaphthalene-1-carboxamide
7840-3276 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-chloronaphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3276
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-chloronaphthalene-1-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

7840-3276

Molecular Formula

C25H17ClN2O2 (C25 H17 ClN2 O2)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-chloronaphthalene-1-carboxamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)-2-methylphenyl]-5-chloronaphthalene-1-carboxamide

SMILES

Cc(c(-c1nc(cccc2)c2o1)ccc1)c1NC(c1c(cccc2Cl)c2ccc1)=O

InChI

InChI=1S/C25H17ClN2O2/c1-15-16(25-28-22-12-2-3-14-23(22)30-25)7-6-13-21(15)27-24(29)19-10-4-9-18-17(19)8-5-11-20(18)26/h2-14H,1H3,(H,27,29)

InChI Key

CTAPSYKMMRHEGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.789

Distribution Coefficient, logD

6.789

Water Solubility, LogSw

-6.33

Polar Surface Area

39.171

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

7840-3276 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7840-3276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3276?
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What is the minimum amount of 7840-3276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3276
  • 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 7840-3276 available by request