8007-9005 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}prop-2-enenitrile

8007-9005 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}prop-2-enenitrile
8007-9005 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-9005
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}prop-2-enenitrile

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

8007-9005

Molecular Formula

C23H15Cl2N3O (C23 H15 Cl2 N3 O)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-{4-[(24-dichlorophenyl)methoxy]phenyl}prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C23H15Cl2N3O/c24-18-8-7-16(20(25)12-18)14-29-19-9-5-15(6-10-19)11-17(13-26)23-27-21-3-1-2-4-22(21)28-23/h1-12H,14H2,(H,27,28)

InChI Key

HBVNTKYIGWHEJL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.291

Distribution Coefficient, logD

6.290

Water Solubility, LogSw

-6.50

Polar Surface Area

43.542

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8007-9005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-9005?
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What is the minimum amount of 8007-9005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-9005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-9005
  • 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 8007-9005 available by request