V010-9345 Screening compound: N-cyclohexyl-N-methyl-2-(methylsulfanyl)-5-{[(4-phenylbutan-2-yl)amino]methyl}pyrimidin-4-amine

V010-9345 Screening compound: N-cyclohexyl-N-methyl-2-(methylsulfanyl)-5-{[(4-phenylbutan-2-yl)amino]methyl}pyrimidin-4-amine
V010-9345 Screening compound: N-cyclohexyl-N-methyl-2-(methylsulfanyl)-5-{[(4-phenylbutan-2-yl)amino]methyl}pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9345
N-cyclohexyl-N-methyl-2-(methylsulfanyl)-5-{[(4-phenylbutan-2-yl)amino]methyl}pyrimidin-4-amine

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

V010-9345

Molecular Formula

C23H34N4S (C23 H34 N4 S)

Compound Name

N-cyclohexyl-N-methyl-2-(methylsulfanyl)-5-{[(4-phenylbutan-2-yl)amino]methyl}pyrimidin-4-amine

IUPAC name

N-cyclohexyl-N-methyl-2-(methylsulfanyl)-5-{[(4-phenylbutan-2-yl)amino]methyl}pyrimidin-4-amine

SMILES

CC(CCc1ccccc1)NCc(cn1)c(N(C)C2CCCCC2)nc1SC

InChI

InChI=1S/C23H34N4S/c1-18(14-15-19-10-6-4-7-11-19)24-16-20-17-25-23(28-3)26-22(20)27(2)21-12-8-5-9-13-21/h4,6-7,10-11,17-18,21,24H,5,8-9,12-16H2,1-3H3/t18-/m0/s1

InChI Key

QRUYWKYAFIQHEE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19944859

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.301

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-5.12

Polar Surface Area

30.991

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

V010-9345 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V010-9345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9345?
Check Price and Availability of V010-9345, 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 V010-9345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9345
  • 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 V010-9345 available by request