V006-0474 Screening compound: 2-(4-{2-[(4-methylphenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyrimidine

V006-0474 Screening compound: 2-(4-{2-[(4-methylphenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyrimidine
V006-0474 Screening compound: 2-(4-{2-[(4-methylphenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0474
2-(4-{2-[(4-methylphenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyrimidine

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

V006-0474

Molecular Formula

C30H31N5O4S (C30 H31 N5 O4 S)

Compound Name

2-(4-{2-[(4-methylphenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyrimidine

IUPAC name

2-(4-{2-[(4-methylphenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)-4-(345-trimethoxyphenyl)pyrimidine

SMILES

Cc(cc1)ccc1Sc1ncccc1C(N(CC1)CCN1c1nc(-c(cc2OC)cc(OC)c2OC)ccn1)=O

InChI

InChI=1S/C30H31N5O4S/c1-20-7-9-22(10-8-20)40-28-23(6-5-12-31-28)29(36)34-14-16-35(17-15-34)30-32-13-11-24(33-30)21-18-25(37-2)27(39-4)26(19-21)38-3/h5-13,18-19H,14-17H2,1-4H3

InChI Key

SXTSIKBRUKTBFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942778

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.64

Polar Surface Area

69.691

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V006-0474 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V006-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0474?
Check Price and Availability of V006-0474, 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 V006-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0474
  • 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 V006-0474 available by request