1773-0133 Screening compound: N,N-dimethyl-4-[(E)-{[1-(4-methylphenyl)-1H-1,3-benzodiazol-5-yl]imino}methyl]aniline

1773-0133 Screening compound: N,N-dimethyl-4-[(E)-{[1-(4-methylphenyl)-1H-1,3-benzodiazol-5-yl]imino}methyl]aniline
1773-0133 Screening compound: N,N-dimethyl-4-[(E)-{[1-(4-methylphenyl)-1H-1,3-benzodiazol-5-yl]imino}methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1773-0133
N,N-dimethyl-4-[(E)-{[1-(4-methylphenyl)-1H-1,3-benzodiazol-5-yl]imino}methyl]aniline

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

1773-0133

Molecular Formula

C23H22N4 (C23 H22 N4)

Compound Name

N,N-dimethyl-4-[(E)-{[1-(4-methylphenyl)-1H-1,3-benzodiazol-5-yl]imino}methyl]aniline

IUPAC name

NN-dimethyl-4-[(E)-{[1-(4-methylphenyl)-1H-13-benzodiazol-5-yl]imino}methyl]aniline

SMILES

Cc(cc1)ccc1-n1c(ccc(/N=C/c(cc2)ccc2N(C)C)c2)c2nc1

InChI

InChI=1S/C23H22N4/c1-17-4-9-21(10-5-17)27-16-25-22-14-19(8-13-23(22)27)24-15-18-6-11-20(12-7-18)26(2)3/h4-16H,1-3H3

InChI Key

BEPRREDICFEIRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01136125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.60

Polar Surface Area

21.814

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

1773-0133 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1773-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1773-0133?
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What is the minimum amount of 1773-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1773-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1773-0133
  • 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 1773-0133 available by request