8013-6200 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazole

8013-6200 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazole
8013-6200 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6200
2-[(1E)-2-(4-chlorophenyl)ethenyl]-1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazole

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

8013-6200

Molecular Formula

C25H23ClN2O (C25 H23 ClN2 O)

Compound Name

2-[(1E)-2-(4-chlorophenyl)ethenyl]-1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazole

IUPAC name

2-[(1E)-2-(4-chlorophenyl)ethenyl]-1-[3-(3-methylphenoxy)propyl]-1H-13-benzodiazole

SMILES

Cc1cccc(OCCCn2c(cccc3)c3nc2/C=C/c(cc2)ccc2Cl)c1

InChI

InChI=1S/C25H23ClN2O/c1-19-6-4-7-22(18-19)29-17-5-16-28-24-9-3-2-8-23(24)27-25(28)15-12-20-10-13-21(26)14-11-20/h2-4,6-15,18H,5,16-17H2,1H3

InChI Key

UHGTZNYGOKFHNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03672984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.198

Distribution Coefficient, logD

7.198

Water Solubility, LogSw

-6.59

Polar Surface Area

18.268

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8013-6200 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-6200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6200?
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What is the minimum amount of 8013-6200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6200
  • 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 8013-6200 available by request