2783-5025 Screening compound: 4-chloro-N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide

2783-5025 Screening compound: 4-chloro-N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
2783-5025 Screening compound: 4-chloro-N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-5025
4-chloro-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

2783-5025

Molecular Formula

C21H13Cl2N3O4 (C21 H13 Cl2 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1nc(cc(cc2)Cl)c2o1)c1)c1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C21H13Cl2N3O4/c1-11-2-3-13(21-25-17-10-14(22)5-7-19(17)30-21)8-16(11)24-20(27)12-4-6-15(23)18(9-12)26(28)29/h2-10H,1H3,(H,24,27)

InChI Key

LIERKZFGRNYHIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.26

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

5.412

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.99

Polar Surface Area

72.523

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2783-5025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-5025?
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What is the minimum amount of 2783-5025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-5025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-5025
  • 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 2783-5025 available by request