1774-0018 Screening compound: (1E)-2-{1-[2-(4-bromophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

1774-0018 Screening compound: (1E)-2-{1-[2-(4-bromophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate
1774-0018 Screening compound: (1E)-2-{1-[2-(4-bromophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1774-0018
(1E)-2-{1-[2-(4-bromophenoxy)ethyl]-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

1774-0018

Molecular Formula

C30H23BrN2O3 (C30 H23 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nc(cccc2)c2n1CCOc(cc1)ccc1Br

InChI

InChI=1S/C30H23BrN2O3/c31-24-15-17-25(18-16-24)35-20-19-33-27-14-8-7-13-26(27)32-29(33)21-28(22-9-3-1-4-10-22)36-30(34)23-11-5-2-6-12-23/h1-18,21H,19-20H2

InChI Key

FGTGYNMIEFXIQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.945

Distribution Coefficient, logD

7.945

Water Solubility, LogSw

-6.21

Polar Surface Area

37.956

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1774-0018 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 1774-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1774-0018?
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What is the minimum amount of 1774-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1774-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1774-0018
  • 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 1774-0018 available by request