L929-1052 Screening compound: 3-(1H-1,3-benzodiazol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

L929-1052 Screening compound: 3-(1H-1,3-benzodiazol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
L929-1052 Screening compound: 3-(1H-1,3-benzodiazol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L929-1052
3-(1H-1,3-benzodiazol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}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

L929-1052

Molecular Formula

C18H16F3N3O (C18 H16 F3 N3 O)

Compound Name

3-(1H-1,3-benzodiazol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-(1H-13-benzodiazol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

O=C(CCc(cc1)cc2c1[nH]cn2)NCc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C18H16F3N3O/c19-18(20,21)14-5-1-13(2-6-14)10-22-17(25)8-4-12-3-7-15-16(9-12)24-11-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,22,25)(H,23,24)

InChI Key

MOJQCEYMGDVNPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27487633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.34

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

3.062

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.36

Polar Surface Area

44.968

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L929-1052 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L929-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L929-1052?
Check Price and Availability of L929-1052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L929-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L929-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L929-1052
  • 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 L929-1052 available by request