V003-4655 Screening compound: 3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

V003-4655 Screening compound: 3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
V003-4655 Screening compound: 3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4655
3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

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

V003-4655

Molecular Formula

C26H32N4O2S (C26 H32 N4 O2 S)

Compound Name

3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

IUPAC name

3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1cccc(CSc2nc(N(C)Cc3ccccc3)cc(COC)n2)c1)=O

InChI

InChI=1S/C26H32N4O2S/c1-19(2)15-27-25(31)22-12-8-11-21(13-22)18-33-26-28-23(17-32-4)14-24(29-26)30(3)16-20-9-6-5-7-10-20/h5-14,19H,15-18H2,1-4H3,(H,27,31)

InChI Key

BGEBGCNDEDPCEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834694

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-4.99

Polar Surface Area

53.282

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V003-4655 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-4655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4655?
Check Price and Availability of V003-4655, 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 V003-4655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4655
  • 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 V003-4655 available by request