V001-9478 Screening compound: ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate

V001-9478 Screening compound: ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
V001-9478 Screening compound: ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9478
ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate

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

V001-9478

Molecular Formula

C32H40N4O3S (C32 H40 N4 O3 S)

Compound Name

ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1cccc(CSc2nc(N(C)Cc3ccccc3)cc(C(C)(C)C)n2)c1)=O)=O

InChI

InChI=1S/C32H40N4O3S/c1-6-39-30(38)25-15-17-36(18-16-25)29(37)26-14-10-13-24(19-26)22-40-31-33-27(32(2,3)4)20-28(34-31)35(5)21-23-11-8-7-9-12-23/h7-14,19-20,25H,6,15-18,21-22H2,1-5H3

InChI Key

WJCKKTBEJVOHFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836645

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.450

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-5.58

Polar Surface Area

57.080

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

V001-9478 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-9478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9478?
Check Price and Availability of V001-9478, 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 V001-9478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9478
  • 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 V001-9478 available by request