1774-0034 Screening compound: 4-chlorophenyl (2E)-3-{1-[(2-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-(4-chlorophenyl)prop-2-enoate

1774-0034 Screening compound: 4-chlorophenyl (2E)-3-{1-[(2-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-(4-chlorophenyl)prop-2-enoate
1774-0034 Screening compound: 4-chlorophenyl (2E)-3-{1-[(2-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-(4-chlorophenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1774-0034
4-chlorophenyl (2E)-3-{1-[(2-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-(4-chlorophenyl)prop-2-enoate

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

1774-0034

Molecular Formula

C29H19BrCl2N2O2 (C29 H19 BrCl2 N2 O2)

Compound Name

4-chlorophenyl (2E)-3-{1-[(2-bromophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-(4-chlorophenyl)prop-2-enoate

IUPAC name

4-chlorophenyl (2E)-3-{1-[(2-bromophenyl)methyl]-1H-13-benzodiazol-2-yl}-2-(4-chlorophenyl)prop-2-enoate

SMILES

O=C(/C(/c(cc1)ccc1Cl)=C/c1nc(cccc2)c2n1Cc(cccc1)c1Br)Oc(cc1)ccc1Cl

InChI

InChI=1S/C29H19BrCl2N2O2/c30-25-6-2-1-5-20(25)18-34-27-8-4-3-7-26(27)33-28(34)17-24(19-9-11-21(31)12-10-19)29(35)36-23-15-13-22(32)14-16-23/h1-17H,18H2

InChI Key

QAFHEKQRDRGCGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.29

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

8.722

Distribution Coefficient, logD

8.722

Water Solubility, LogSw

-6.78

Polar Surface Area

31.250

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

1774-0034 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1774-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1774-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1774-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1774-0034
  • 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 1774-0034 available by request