1315-0389 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide

1315-0389 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
1315-0389 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0389
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-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

1315-0389

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide

IUPAC name

N-[4-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-3-nitrobenzamide

SMILES

Cc(cc1C)cc2c1oc(-c(cc1)ccc1NC(c1cccc([N+]([O-])=O)c1)=O)n2

InChI

InChI=1S/C22H17N3O4/c1-13-10-14(2)20-19(11-13)24-22(29-20)15-6-8-17(9-7-15)23-21(26)16-4-3-5-18(12-16)25(27)28/h3-12H,1-2H3,(H,23,26)

InChI Key

NJVLVKJAWHIPAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

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

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.08

Polar Surface Area

73.754

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 1315-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0389?
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What is the minimum amount of 1315-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0389
  • 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 1315-0389 available by request