8003-6895 Screening compound: 4-chloro-3,5-dimethyl-2-nitro-6-[(E)-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

8003-6895 Screening compound: 4-chloro-3,5-dimethyl-2-nitro-6-[(E)-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
8003-6895 Screening compound: 4-chloro-3,5-dimethyl-2-nitro-6-[(E)-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6895
4-chloro-3,5-dimethyl-2-nitro-6-[(E)-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

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

8003-6895

Molecular Formula

C21H15ClN4O4 (C21 H15 ClN4 O4)

Compound Name

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

IUPAC name

4-chloro-35-dimethyl-2-nitro-6-[(E)-{[2-(pyridin-4-yl)-13-benzoxazol-5-yl]imino}methyl]phenol

SMILES

Cc(c(Cl)c1C)c(/C=N/c(cc2)cc3c2oc(-c2ccncc2)n3)c(O)c1[N+]([O-])=O

InChI

InChI=1S/C21H15ClN4O4/c1-11-15(20(27)19(26(28)29)12(2)18(11)22)10-24-14-3-4-17-16(9-14)25-21(30-17)13-5-7-23-8-6-13/h3-10,27H,1-2H3

InChI Key

PGWXGJLWBYRKIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-4.76

Polar Surface Area

82.863

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8003-6895 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-6895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6895?
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What is the minimum amount of 8003-6895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6895
  • 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 8003-6895 available by request