7833-0747 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide

7833-0747 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
7833-0747 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7833-0747
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide

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

7833-0747

Molecular Formula

C23H19N3O4 (C23 H19 N3 O4)

Compound Name

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide

IUPAC name

N-[5-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide

SMILES

Cc(cc1C)cc2c1oc(-c1cc(NC(c3cccc([N+]([O-])=O)c3)=O)c(C)cc1)n2

InChI

InChI=1S/C23H19N3O4/c1-13-9-15(3)21-20(10-13)25-23(30-21)17-8-7-14(2)19(12-17)24-22(27)16-5-4-6-18(11-16)26(28)29/h4-12H,1-3H3,(H,24,27)

InChI Key

OIYNIULYIODNSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.47

Polar Surface Area

73.057

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

7833-0747 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7833-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7833-0747?
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What is the minimum amount of 7833-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7833-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7833-0747
  • 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 7833-0747 available by request