V013-3351 Screening compound: N-{4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl}-3-(trifluoromethyl)benzamide

V013-3351 Screening compound: N-{4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl}-3-(trifluoromethyl)benzamide
V013-3351 Screening compound: N-{4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3351
N-{4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl}-3-(trifluoromethyl)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

V013-3351

Molecular Formula

C19H21F3N4O2S (C19 H21 F3 N4 O2 S)

Compound Name

N-{4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{4-[4-(dimethylamino)piperidine-1-carbonyl]-13-thiazol-2-yl}-3-(trifluoromethyl)benzamide

SMILES

CN(C)C(CC1)CCN1C(c1csc(NC(c2cc(C(F)(F)F)ccc2)=O)n1)=O

InChI

InChI=1S/C19H21F3N4O2S/c1-25(2)14-6-8-26(9-7-14)17(28)15-11-29-18(23-15)24-16(27)12-4-3-5-13(10-12)19(20,21)22/h3-5,10-11,14H,6-9H2,1-2H3,(H,23,24,27)

InChI Key

WPUYTOSFKICPLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976086

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

0.206

Water Solubility, LogSw

-3.88

Polar Surface Area

52.470

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

V013-3351 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V013-3351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3351?
Check Price and Availability of V013-3351, 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 V013-3351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3351
  • 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 V013-3351 available by request