3662-0058 Screening compound: 3-(3-chlorophenyl)-5-{[3-(3-chlorophenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole

3662-0058 Screening compound: 3-(3-chlorophenyl)-5-{[3-(3-chlorophenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole
3662-0058 Screening compound: 3-(3-chlorophenyl)-5-{[3-(3-chlorophenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3662-0058
3-(3-chlorophenyl)-5-{[3-(3-chlorophenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole

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

3662-0058

Molecular Formula

C26H14Cl2N2O2S (C26 H14 Cl2 N2 O2 S)

Compound Name

3-(3-chlorophenyl)-5-{[3-(3-chlorophenyl)-2,1-benzoxazol-5-yl]sulfanyl}-2,1-benzoxazole

IUPAC name

3-(3-chlorophenyl)-5-{[3-(3-chlorophenyl)-21-benzoxazol-5-yl]sulfanyl}-21-benzoxazole

SMILES

Clc1cccc(-c2c(cc(cc3)Sc4cc5c(-c6cccc(Cl)c6)onc5cc4)c3no2)c1

InChI

InChI=1S/C26H14Cl2N2O2S/c27-17-5-1-3-15(11-17)25-21-13-19(7-9-23(21)29-31-25)33-20-8-10-24-22(14-20)26(32-30-24)16-4-2-6-18(28)12-16/h1-14H

InChI Key

KZQZRRQGMYRVFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.908

Distribution Coefficient, logD

8.908

Water Solubility, LogSw

-7.04

Polar Surface Area

42.933

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3662-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3662-0058?
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What is the minimum amount of 3662-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3662-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3662-0058
  • 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 3662-0058 available by request