1354-0133 Screening compound: 4-[(1E)-2-(4-chlorophenyl)diazen-1-yl]-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

1354-0133 Screening compound: 4-[(1E)-2-(4-chlorophenyl)diazen-1-yl]-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
1354-0133 Screening compound: 4-[(1E)-2-(4-chlorophenyl)diazen-1-yl]-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1354-0133
4-[(1E)-2-(4-chlorophenyl)diazen-1-yl]-2-[(E)-{[2-(4-ethoxyphenyl)-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

1354-0133

Molecular Formula

C28H21ClN4O3 (C28 H21 ClN4 O3)

Compound Name

4-[(1E)-2-(4-chlorophenyl)diazen-1-yl]-2-[(E)-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

IUPAC name

4-[(1E)-2-(4-chlorophenyl)diazen-1-yl]-2-[(E)-{[2-(4-ethoxyphenyl)-13-benzoxazol-5-yl]imino}methyl]phenol

SMILES

CCOc(cc1)ccc1-c1nc(cc(cc2)/N=C/c(cc(cc3)/N=N/c(cc4)ccc4Cl)c3O)c2o1

InChI

InChI=1S/C28H21ClN4O3/c1-2-35-24-11-3-18(4-12-24)28-31-25-16-22(10-14-27(25)36-28)30-17-19-15-23(9-13-26(19)34)33-32-21-7-5-20(29)6-8-21/h3-17,34H,2H2,1H3

InChI Key

MRXXIWDMJDWXIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01014359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.796

Distribution Coefficient, logD

7.764

Water Solubility, LogSw

-6.30

Polar Surface Area

70.535

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1354-0133 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1354-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1354-0133?
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What is the minimum amount of 1354-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1354-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1354-0133
  • 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 1354-0133 available by request