1774-0025 Screening compound: (1E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

1774-0025 Screening compound: (1E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate
1774-0025 Screening compound: (1E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1774-0025
(1E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

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

1774-0025

Molecular Formula

C29H21ClN2O2 (C29 H21 ClN2 O2)

Compound Name

(1E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

IUPAC name

(1E)-2-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-phenylethenyl benzoate

SMILES

O=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nc(cccc2)c2n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C29H21ClN2O2/c30-24-17-15-21(16-18-24)20-32-26-14-8-7-13-25(26)31-28(32)19-27(22-9-3-1-4-10-22)34-29(33)23-11-5-2-6-12-23/h1-19H,20H2

InChI Key

OAKJWWMYPFJRIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.463

Distribution Coefficient, logD

7.463

Water Solubility, LogSw

-6.61

Polar Surface Area

30.560

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

1774-0025 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 1774-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1774-0025?
Check Price and Availability of 1774-0025, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1774-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1774-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1774-0025
  • 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 1774-0025 available by request