8005-7500 Screening compound: 4-chloro-2-[(E)-{[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-3,5-dimethyl-6-nitrophenol

8005-7500 Screening compound: 4-chloro-2-[(E)-{[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-3,5-dimethyl-6-nitrophenol
8005-7500 Screening compound: 4-chloro-2-[(E)-{[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-3,5-dimethyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7500
4-chloro-2-[(E)-{[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-3,5-dimethyl-6-nitrophenol

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

8005-7500

Molecular Formula

C22H15Cl2N3O4 (C22 H15 Cl2 N3 O4)

Compound Name

4-chloro-2-[(E)-{[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-3,5-dimethyl-6-nitrophenol

IUPAC name

4-chloro-2-[(E)-{[2-(3-chlorophenyl)-13-benzoxazol-5-yl]imino}methyl]-35-dimethyl-6-nitrophenol

SMILES

Cc(c(Cl)c1C)c(/C=N/c(cc2)cc3c2oc(-c2cc(Cl)ccc2)n3)c(O)c1[N+]([O-])=O

InChI

InChI=1S/C22H15Cl2N3O4/c1-11-16(21(28)20(27(29)30)12(2)19(11)24)10-25-15-6-7-18-17(9-15)26-22(31-18)13-4-3-5-14(23)8-13/h3-10,28H,1-2H3

InChI Key

AHATXHWTXXAYJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.784

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-6.14

Polar Surface Area

73.435

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8005-7500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7500?
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What is the minimum amount of 8005-7500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7500
  • 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 8005-7500 available by request