2080-0351 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide

2080-0351 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide
2080-0351 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2080-0351
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-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

2080-0351

Molecular Formula

C21H15N3O4 (C21 H15 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(c(cccc1)c1[N+]([O-])=O)=O

InChI

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

InChI Key

FURHFBXWWPIRPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01179889

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

4.450

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.43

Polar Surface Area

72.523

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2080-0351 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2080-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2080-0351?
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What is the minimum amount of 2080-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2080-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2080-0351
  • 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 2080-0351 available by request