V003-5782 Screening compound: N-benzyl-3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide

V003-5782 Screening compound: N-benzyl-3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide
V003-5782 Screening compound: N-benzyl-3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5782
N-benzyl-3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide

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

V003-5782

Molecular Formula

C33H37N5O2S (C33 H37 N5 O2 S)

Compound Name

N-benzyl-3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide

IUPAC name

N-benzyl-3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-56-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-methylbenzamide

SMILES

Cc(c(C)n1)c(N(CC2)CCN2c(cc2)ccc2OC)nc1SCc1cc(C(N(C)Cc2ccccc2)=O)ccc1

InChI

InChI=1S/C33H37N5O2S/c1-24-25(2)34-33(35-31(24)38-19-17-37(18-20-38)29-13-15-30(40-4)16-14-29)41-23-27-11-8-12-28(21-27)32(39)36(3)22-26-9-6-5-7-10-26/h5-16,21H,17-20,22-23H2,1-4H3

InChI Key

HYKNMIMEQRULND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19826076

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.452

Distribution Coefficient, logD

6.450

Water Solubility, LogSw

-5.73

Polar Surface Area

48.177

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V003-5782 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V003-5782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5782?
Check Price and Availability of V003-5782, 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 V003-5782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5782
  • 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 V003-5782 available by request