2783-5183 Screening compound: 4-chloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

2783-5183 Screening compound: 4-chloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
2783-5183 Screening compound: 4-chloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-5183
4-chloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-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

2783-5183

Molecular Formula

C21H14ClN3O4 (C21 H14 ClN3 O4)

Compound Name

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

IUPAC name

4-chloro-N-[2-(2-methylphenyl)-13-benzoxazol-5-yl]-3-nitrobenzamide

SMILES

Cc(cccc1)c1-c1nc(cc(cc2)NC(c(cc3)cc([N+]([O-])=O)c3Cl)=O)c2o1

InChI

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

InChI Key

STOZSEJNRIUQNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145951

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

4.988

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-5.06

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2783-5183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-5183?
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What is the minimum amount of 2783-5183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-5183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-5183
  • 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 2783-5183 available by request