2038-0141 Screening compound: (2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

2038-0141 Screening compound: (2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
2038-0141 Screening compound: (2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2038-0141
(2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)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

2038-0141

Molecular Formula

C24H17ClFN3O (C24 H17 ClFN3 O)

Compound Name

(2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2-(5-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1[nH]c(/C(/C#N)=C/c(cc1)ccc1OCc(c(F)ccc1)c1Cl)n2

InChI

InChI=1S/C24H17ClFN3O/c1-15-5-10-22-23(11-15)29-24(28-22)17(13-27)12-16-6-8-18(9-7-16)30-14-19-20(25)3-2-4-21(19)26/h2-12H,14H2,1H3,(H,28,29)

InChI Key

SWTLEZDHTITIIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

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

6.123

Distribution Coefficient, logD

6.123

Water Solubility, LogSw

-6.34

Polar Surface Area

43.542

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 2038-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2038-0141?
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What is the minimum amount of 2038-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2038-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2038-0141
  • 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 2038-0141 available by request