1774-0053 Screening compound: (1E)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethenyl 4-methylbenzoate

1774-0053 Screening compound: (1E)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethenyl 4-methylbenzoate
1774-0053 Screening compound: (1E)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1774-0053
(1E)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethenyl 4-methylbenzoate

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

1774-0053

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

(1E)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethenyl 4-methylbenzoate

IUPAC name

(1E)-2-(1-methyl-1H-13-benzodiazol-2-yl)-1-(4-methylphenyl)ethenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1/C(/OC(c1ccc(C)cc1)=O)=C\c1nc(cccc2)c2n1C

InChI

InChI=1S/C25H22N2O2/c1-17-8-12-19(13-9-17)23(29-25(28)20-14-10-18(2)11-15-20)16-24-26-21-6-4-5-7-22(21)27(24)3/h4-16H,1-3H3

InChI Key

IEVMDUPNMZCGTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00336216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.122

Distribution Coefficient, logD

6.122

Water Solubility, LogSw

-5.74

Polar Surface Area

31.641

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

1774-0053 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 1774-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1774-0053?
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What is the minimum amount of 1774-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1774-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1774-0053
  • 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 1774-0053 available by request