5786-1860 Screening compound: 2-{2-[(1E)-2-(4-chlorophenyl)ethenyl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

5786-1860 Screening compound: 2-{2-[(1E)-2-(4-chlorophenyl)ethenyl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide
5786-1860 Screening compound: 2-{2-[(1E)-2-(4-chlorophenyl)ethenyl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1860
2-{2-[(1E)-2-(4-chlorophenyl)ethenyl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

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

5786-1860

Molecular Formula

C26H24ClN3O (C26 H24 ClN3 O)

Compound Name

2-{2-[(1E)-2-(4-chlorophenyl)ethenyl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

IUPAC name

2-{2-[(1E)-2-(4-chlorophenyl)ethenyl]-1H-13-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

SMILES

CC(C)N(C(Cn1c(cccc2)c2nc1/C=C/c(cc1)ccc1Cl)=O)c1ccccc1

InChI

InChI=1S/C26H24ClN3O/c1-19(2)30(22-8-4-3-5-9-22)26(31)18-29-24-11-7-6-10-23(24)28-25(29)17-14-20-12-15-21(27)16-13-20/h3-17,19H,18H2,1-2H3

InChI Key

YHLFDWNHPUXHFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

6.118

Water Solubility, LogSw

-6.39

Polar Surface Area

26.090

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5786-1860 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 5786-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1860?
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What is the minimum amount of 5786-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1860
  • 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 5786-1860 available by request