V008-9986 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-N-phenylpyrimidin-4-amine

V008-9986 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-N-phenylpyrimidin-4-amine
V008-9986 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-N-phenylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9986
2-(2H-1,3-benzodioxol-5-yl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-N-phenylpyrimidin-4-amine

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

V008-9986

Molecular Formula

C30H29N5O3 (C30 H29 N5 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-N-phenylpyrimidin-4-amine

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-N-phenylpyrimidin-4-amine

SMILES

Cc1ccc(CN(CC2)CCN2C(c2c(Nc3ccccc3)nc(-c(cc3)cc4c3OCO4)nc2)=O)cc1

InChI

InChI=1S/C30H29N5O3/c1-21-7-9-22(10-8-21)19-34-13-15-35(16-14-34)30(36)25-18-31-28(23-11-12-26-27(17-23)38-20-37-26)33-29(25)32-24-5-3-2-4-6-24/h2-12,17-18H,13-16,19-20H2,1H3,(H,31,32,33)

InChI Key

HYGLQPCXNOPVFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973528

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.921

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.40

Polar Surface Area

65.916

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V008-9986 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-9986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9986?
Check Price and Availability of V008-9986, 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 V008-9986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9986
  • 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 V008-9986 available by request