V013-9596 Screening compound: 3-(2,5-dimethylphenyl)-1-[6-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]urea

V013-9596 Screening compound: 3-(2,5-dimethylphenyl)-1-[6-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]urea
V013-9596 Screening compound: 3-(2,5-dimethylphenyl)-1-[6-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9596
3-(2,5-dimethylphenyl)-1-[6-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]urea

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

V013-9596

Molecular Formula

C26H28F3N5O (C26 H28 F3 N5 O)

Compound Name

3-(2,5-dimethylphenyl)-1-[6-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]urea

IUPAC name

3-(25-dimethylphenyl)-1-[6-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyridin-3-yl]urea

SMILES

Cc1cc(NC(Nc(cc2)cnc2N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)=O)c(C)cc1

InChI

InChI=1S/C26H28F3N5O/c1-18-3-4-19(2)23(15-18)32-25(35)31-22-9-10-24(30-16-22)34-13-11-33(12-14-34)17-20-5-7-21(8-6-20)26(27,28)29/h3-10,15-16H,11-14,17H2,1-2H3,(H2,31,32,35)

InChI Key

CBUOJJYHMVOCNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912384

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.761

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.32

Polar Surface Area

47.437

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V013-9596 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-9596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9596?
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What is the minimum amount of V013-9596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9596
  • 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 V013-9596 available by request