V013-6212 Screening compound: N-[3-(2-methylpiperidin-1-yl)propyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

V013-6212 Screening compound: N-[3-(2-methylpiperidin-1-yl)propyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
V013-6212 Screening compound: N-[3-(2-methylpiperidin-1-yl)propyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6212
N-[3-(2-methylpiperidin-1-yl)propyl]-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

V013-6212

Molecular Formula

C26H29F3N4O (C26 H29 F3 N4 O)

Compound Name

N-[3-(2-methylpiperidin-1-yl)propyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

N-[3-(2-methylpiperidin-1-yl)propyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

SMILES

CC1N(CCCNC(c(cc2)ccc2-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)=O)CCCC1

InChI

InChI=1S/C26H29F3N4O/c1-18-6-2-3-14-33(18)15-5-13-30-25(34)20-11-9-19(10-12-20)23-17-24(32-31-23)21-7-4-8-22(16-21)26(27,28)29/h4,7-12,16-18H,2-3,5-6,13-15H2,1H3,(H,30,34)(H,31,32)/t18-/m0/s1

InChI Key

VSIATDXMTAYWDI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19953832

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.060

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-4.69

Polar Surface Area

50.145

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V013-6212 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V013-6212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6212?
Check Price and Availability of V013-6212, 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 V013-6212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6212
  • 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 V013-6212 available by request