V006-2082 Screening compound: 4-(4-benzylpiperazino)-N~5~-isobutyl-2-(4-methylphenyl)-5-pyrimidinecarboxamide

V006-2082 Screening compound: 4-(4-benzylpiperazino)-N~5~-isobutyl-2-(4-methylphenyl)-5-pyrimidinecarboxamide
V006-2082 Screening compound: 4-(4-benzylpiperazino)-N~5~-isobutyl-2-(4-methylphenyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-2082
4-(4-benzylpiperazino)-N~5~-isobutyl-2-(4-methylphenyl)-5-pyrimidinecarboxamide

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

V006-2082

Molecular Formula

C27H33N5O (C27 H33 N5 O)

Compound Name

4-(4-benzylpiperazino)-N~5~-isobutyl-2-(4-methylphenyl)-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

CC(C)CNC(c1c(N2CCN(Cc3ccccc3)CC2)nc(-c2ccc(C)cc2)nc1)=O

InChI

InChI=1S/C27H33N5O/c1-20(2)17-29-27(33)24-18-28-25(23-11-9-21(3)10-12-23)30-26(24)32-15-13-31(14-16-32)19-22-7-5-4-6-8-22/h4-12,18,20H,13-17,19H2,1-3H3,(H,29,33)

InChI Key

LDLDUFXNBBCLMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14251610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.295

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.16

Polar Surface Area

50.671

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V006-2082 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V006-2082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2082?
Check Price and Availability of V006-2082, 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 V006-2082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2082
  • 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 V006-2082 available by request