8004-4365 Screening compound: 2,4-dichloro-6-[(E)-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

8004-4365 Screening compound: 2,4-dichloro-6-[(E)-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
8004-4365 Screening compound: 2,4-dichloro-6-[(E)-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4365
2,4-dichloro-6-[(E)-{[2-(pyridin-3-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

8004-4365

Molecular Formula

C19H11Cl2N3O2 (C19 H11 Cl2 N3 O2)

Compound Name

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

IUPAC name

24-dichloro-6-[(E)-{[2-(pyridin-3-yl)-13-benzoxazol-5-yl]imino}methyl]phenol

SMILES

Oc(c(/C=N/c(cc1)cc2c1oc(-c1cnccc1)n2)cc(Cl)c1)c1Cl

InChI

InChI=1S/C19H11Cl2N3O2/c20-13-6-12(18(25)15(21)7-13)10-23-14-3-4-17-16(8-14)24-19(26-17)11-2-1-5-22-9-11/h1-10,25H

InChI Key

SNNFTVNOZZRTTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00694946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.50

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-4365 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8004-4365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4365?
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What is the minimum amount of 8004-4365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4365
  • 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 8004-4365 available by request