V003-5304 Screening compound: 1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one

V003-5304 Screening compound: 1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
V003-5304 Screening compound: 1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5304
1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one

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

V003-5304

Molecular Formula

C30H35ClN6O2S (C30 H35 ClN6 O2 S)

Compound Name

1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one

IUPAC name

1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-56-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1ccc(CSc2nc(C)c(C)c(N(CC3)CCN3c(cccc3)c3Cl)n2)cc1)=O)=O

InChI

InChI=1S/C30H35ClN6O2S/c1-21-22(2)32-30(33-28(21)36-16-14-35(15-17-36)27-7-5-4-6-26(27)31)40-20-24-8-10-25(11-9-24)29(39)37-18-12-34(13-19-37)23(3)38/h4-11H,12-20H2,1-3H3

InChI Key

VYADJZZLDGXNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838275

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.17

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

4.649

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.75

Polar Surface Area

58.026

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V003-5304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5304?
Check Price and Availability of V003-5304, 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 V003-5304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5304
  • 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 V003-5304 available by request