V003-3812 Screening compound: 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide

V003-3812 Screening compound: 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide
V003-3812 Screening compound: 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3812
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-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

V003-3812

Molecular Formula

C36H41N5O3S (C36 H41 N5 O3 S)

Compound Name

4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide

IUPAC name

4-{[(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide

SMILES

CC(C)(C)c1nc(SCc(cc2)ccc2C(N(C)Cc2ccccc2)=O)nc(N2CCN(Cc(cc3)cc4c3OCO4)CC2)c1

InChI

InChI=1S/C36H41N5O3S/c1-36(2,3)32-21-33(41-18-16-40(17-19-41)23-28-12-15-30-31(20-28)44-25-43-30)38-35(37-32)45-24-27-10-13-29(14-11-27)34(42)39(4)22-26-8-6-5-7-9-26/h5-15,20-21H,16-19,22-25H2,1-4H3

InChI Key

WSOLTVRNLJXSIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829911

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.865

Distribution Coefficient, logD

6.142

Water Solubility, LogSw

-5.64

Polar Surface Area

56.982

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.10

V003-3812 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V003-3812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3812?
Check Price and Availability of V003-3812, 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 V003-3812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3812
  • 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 V003-3812 available by request