L929-0008 Screening compound: 3-(2-ethyl-1H-1,3-benzodiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

L929-0008 Screening compound: 3-(2-ethyl-1H-1,3-benzodiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
L929-0008 Screening compound: 3-(2-ethyl-1H-1,3-benzodiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L929-0008
3-(2-ethyl-1H-1,3-benzodiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

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

L929-0008

Molecular Formula

C19H18F3N3O (C19 H18 F3 N3 O)

Compound Name

3-(2-ethyl-1H-1,3-benzodiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-(2-ethyl-1H-13-benzodiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

SMILES

CCc1nc(cc(CCC(Nc2ccc(C(F)(F)F)cc2)=O)cc2)c2[nH]1

InChI

InChI=1S/C19H18F3N3O/c1-2-17-24-15-9-3-12(11-16(15)25-17)4-10-18(26)23-14-7-5-13(6-8-14)19(20,21)22/h3,5-9,11H,2,4,10H2,1H3,(H,23,26)(H,24,25)

InChI Key

QKPXQFGGZMYTRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27487463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.37

Polar Surface Area

43.398

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

L929-0008 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L929-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L929-0008?
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What is the minimum amount of L929-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L929-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L929-0008
  • 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 L929-0008 available by request