V003-4620 Screening compound: 3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide

V003-4620 Screening compound: 3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
V003-4620 Screening compound: 3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4620
3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]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

V003-4620

Molecular Formula

C30H31FN6OS (C30 H31 FN6 OS)

Compound Name

3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide

IUPAC name

3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-56-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide

SMILES

Cc(c(C)n1)c(N(CC2)CCN2c(cccc2)c2F)nc1SCc1cc(C(NCc2ncccc2)=O)ccc1

InChI

InChI=1S/C30H31FN6OS/c1-21-22(2)34-30(35-28(21)37-16-14-36(15-17-37)27-12-4-3-11-26(27)31)39-20-23-8-7-9-24(18-23)29(38)33-19-25-10-5-6-13-32-25/h3-13,18H,14-17,19-20H2,1-2H3,(H,33,38)

InChI Key

QEDIEOJNRFZXOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830913

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

542.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.47

Polar Surface Area

58.138

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V003-4620 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-4620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4620?
Check Price and Availability of V003-4620, 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 V003-4620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4620
  • 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 V003-4620 available by request