7840-3306 Screening compound: 2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide

7840-3306 Screening compound: 2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
7840-3306 Screening compound: 2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3306
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-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

7840-3306

Molecular Formula

C22H16ClN3O4 (C22 H16 ClN3 O4)

Compound Name

2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide

IUPAC name

2-chloro-N-[3-(56-dimethyl-13-benzoxazol-2-yl)phenyl]-4-nitrobenzamide

SMILES

Cc(c(C)c1)cc2c1oc(-c1cccc(NC(c(ccc([N+]([O-])=O)c3)c3Cl)=O)c1)n2

InChI

InChI=1S/C22H16ClN3O4/c1-12-8-19-20(9-13(12)2)30-22(25-19)14-4-3-5-15(10-14)24-21(27)17-7-6-16(26(28)29)11-18(17)23/h3-11H,1-2H3,(H,24,27)

InChI Key

KILKNXJEKZYLMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.84

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

6.035

Distribution Coefficient, logD

6.034

Water Solubility, LogSw

-6.17

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 7840-3306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3306?
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What is the minimum amount of 7840-3306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3306
  • 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 7840-3306 available by request