V013-6144 Screening compound: N-(2,3-dihydro-1H-inden-1-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

V013-6144 Screening compound: N-(2,3-dihydro-1H-inden-1-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
V013-6144 Screening compound: N-(2,3-dihydro-1H-inden-1-yl)-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6144
N-(2,3-dihydro-1H-inden-1-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

V013-6144

Molecular Formula

C26H20F3N3O (C26 H20 F3 N3 O)

Compound Name

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

IUPAC name

N-(23-dihydro-1H-inden-1-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(CC1)c2c1cccc2

InChI

InChI=1S/C26H20F3N3O/c27-26(28,29)20-6-3-5-19(14-20)24-15-23(31-32-24)17-8-10-18(11-9-17)25(33)30-22-13-12-16-4-1-2-7-21(16)22/h1-11,14-15,22H,12-13H2,(H,30,33)(H,31,32)/t22-/m0/s1

InChI Key

PKDQYDYGHXHAIL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19953815

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

6.243

Distribution Coefficient, logD

6.243

Water Solubility, LogSw

-6.30

Polar Surface Area

47.080

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

V013-6144 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-6144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6144?
Check Price and Availability of V013-6144, 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 V013-6144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6144
  • 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 V013-6144 available by request