4783-0133 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide

4783-0133 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
4783-0133 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4783-0133
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide

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

4783-0133

Molecular Formula

C16H12F3N3O (C16 H12 F3 N3 O)

Compound Name

N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methylphenyl]-222-trifluoroacetamide

SMILES

Cc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(C(F)(F)F)=O

InChI

InChI=1S/C16H12F3N3O/c1-9-6-7-10(8-13(9)22-15(23)16(17,18)19)14-20-11-4-2-3-5-12(11)21-14/h2-8H,1H3,(H,20,21)(H,22,23)

InChI Key

BAVGWJYFPLBMRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.12

Polar Surface Area

41.923

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4783-0133 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4783-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4783-0133?
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What is the minimum amount of 4783-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4783-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4783-0133
  • 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 4783-0133 available by request