V009-0347 Screening compound: N~5~-allyl-4-anilino-2-(1,3-benzodioxol-5-yl)-5-pyrimidinecarboxamide

V009-0347 Screening compound: N~5~-allyl-4-anilino-2-(1,3-benzodioxol-5-yl)-5-pyrimidinecarboxamide
V009-0347 Screening compound: N~5~-allyl-4-anilino-2-(1,3-benzodioxol-5-yl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0347
N~5~-allyl-4-anilino-2-(1,3-benzodioxol-5-yl)-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

V009-0347

Molecular Formula

C21H18N4O3 (C21 H18 N4 O3)

Compound Name

N~5~-allyl-4-anilino-2-(1,3-benzodioxol-5-yl)-5-pyrimidinecarboxamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-4-(phenylamino)-N-(prop-2-en-1-yl)pyrimidine-5-carboxamide

SMILES

C=CCNC(c1c(Nc2ccccc2)nc(-c(cc2)cc3c2OCO3)nc1)=O

InChI

InChI=1S/C21H18N4O3/c1-2-10-22-21(26)16-12-23-19(14-8-9-17-18(11-14)28-13-27-17)25-20(16)24-15-6-4-3-5-7-15/h2-9,11-12H,1,10,13H2,(H,22,26)(H,23,24,25)

InChI Key

OWRSCBITPNBOBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973523

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.99

Polar Surface Area

70.254

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V009-0347 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0347?
Check Price and Availability of V009-0347, 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 V009-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0347
  • 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 V009-0347 available by request