1770-0129 Screening compound: (E)-1-(4-bromophenyl)-N-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanimine

1770-0129 Screening compound: (E)-1-(4-bromophenyl)-N-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanimine
1770-0129 Screening compound: (E)-1-(4-bromophenyl)-N-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0129
(E)-1-(4-bromophenyl)-N-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanimine

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

1770-0129

Molecular Formula

C21H15BrClN3 (C21 H15 BrClN3)

Compound Name

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

IUPAC name

(E)-1-(4-bromophenyl)-N-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}methanimine

SMILES

Clc1ccc(Cn2c(/N=C/c(cc3)ccc3Br)nc3c2cccc3)cc1

InChI

InChI=1S/C21H15BrClN3/c22-17-9-5-15(6-10-17)13-24-21-25-19-3-1-2-4-20(19)26(21)14-16-7-11-18(23)12-8-16/h1-13H,14H2

InChI Key

VPUSJSOZRREUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.497

Distribution Coefficient, logD

6.497

Water Solubility, LogSw

-6.94

Polar Surface Area

20.202

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1770-0129 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1770-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1770-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0129
  • 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 1770-0129 available by request