1315-0435 Screening compound: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide

1315-0435 Screening compound: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
1315-0435 Screening compound: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0435
N-[5-(5-chloro-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

1315-0435

Molecular Formula

C21H14ClN3O4 (C21 H14 ClN3 O4)

Compound Name

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

IUPAC name

n/a

SMILES

Cc(ccc(-c1nc(cc(cc2)Cl)c2o1)c1)c1NC(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C21H14ClN3O4/c1-12-5-6-14(21-24-18-11-15(22)7-8-19(18)29-21)10-17(12)23-20(26)13-3-2-4-16(9-13)25(27)28/h2-11H,1H3,(H,23,26)

InChI Key

RSOCLAHJZKIIPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.81

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

5.143

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.68

Polar Surface Area

72.824

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

References: we are preparing a list of scientific research reports with 1315-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0435?
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What is the minimum amount of 1315-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0435
  • 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 1315-0435 available by request