1140-0063 Screening compound: 4-methyl-3-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

1140-0063 Screening compound: 4-methyl-3-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
1140-0063 Screening compound: 4-methyl-3-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0063
4-methyl-3-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

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

1140-0063

Molecular Formula

C21H15N3O4 (C21 H15 N3 O4)

Compound Name

4-methyl-3-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

IUPAC name

4-methyl-3-nitro-N-(2-phenyl-13-benzoxazol-5-yl)benzamide

SMILES

Cc(ccc(C(Nc(cc1)cc2c1oc(-c1ccccc1)n2)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H15N3O4/c1-13-7-8-15(11-18(13)24(26)27)20(25)22-16-9-10-19-17(12-16)23-21(28-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,25)

InChI Key

OPYOQEVDWQRNOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

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

4.790

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.68

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 1140-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0063?
Check Price and Availability of 1140-0063, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1140-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0063
  • 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 1140-0063 available by request