V015-0133 Screening compound: N-(2,3-dihydro-1H-inden-2-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

V015-0133 Screening compound: N-(2,3-dihydro-1H-inden-2-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
V015-0133 Screening compound: N-(2,3-dihydro-1H-inden-2-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0133
N-(2,3-dihydro-1H-inden-2-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

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

V015-0133

Molecular Formula

C26H20F3N3O (C26 H20 F3 N3 O)

Compound Name

N-(2,3-dihydro-1H-inden-2-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

N-(23-dihydro-1H-inden-2-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

SMILES

O=C(c(cc1)ccc1-c1cc(-c2cccc(C(F)(F)F)c2)n[nH]1)NC(C1)Cc2c1cccc2

InChI

InChI=1S/C26H20F3N3O/c27-26(28,29)21-7-3-6-20(12-21)24-15-23(31-32-24)16-8-10-17(11-9-16)25(33)30-22-13-18-4-1-2-5-19(18)14-22/h1-12,15,22H,13-14H2,(H,30,33)(H,31,32)

InChI Key

DSFFRBNCKFGXSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953900

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.327

Distribution Coefficient, logD

6.327

Water Solubility, LogSw

-6.33

Polar Surface Area

46.690

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V015-0133 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0133?
Check Price and Availability of V015-0133, 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 V015-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0133
  • 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 V015-0133 available by request