V003-4646 Screening compound: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine

V003-4646 Screening compound: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine
V003-4646 Screening compound: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4646
4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)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

V003-4646

Molecular Formula

C30H38N6O2S (C30 H38 N6 O2 S)

Compound Name

4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine

IUPAC name

4-[4-(4-methoxyphenyl)piperazin-1-yl]-56-dimethyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine

SMILES

Cc(c(C)n1)c(N(CC2)CCN2c(cc2)ccc2OC)nc1SCc(cc1)ccc1C(N1CCN(C)CC1)=O

InChI

InChI=1S/C30H38N6O2S/c1-22-23(2)31-30(32-28(22)35-19-17-34(18-20-35)26-9-11-27(38-4)12-10-26)39-21-24-5-7-25(8-6-24)29(37)36-15-13-33(3)14-16-36/h5-12H,13-21H2,1-4H3

InChI Key

QFUPOQHFUMRPHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19826072

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.17

Polar Surface Area

52.151

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

V003-4646 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V003-4646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4646?
Check Price and Availability of V003-4646, 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 V003-4646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4646
  • 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 V003-4646 available by request