V005-8472 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-2-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide

V005-8472 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-2-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide
V005-8472 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-2-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8472
4-(2H-1,3-benzodioxol-5-yloxy)-2-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide

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

V005-8472

Molecular Formula

C24H23N3O5 (C24 H23 N3 O5)

Compound Name

4-(2H-1,3-benzodioxol-5-yloxy)-2-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide

IUPAC name

4-(2H-13-benzodioxol-5-yloxy)-2-(3-methylphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide

SMILES

Cc1cccc(-c(nc2)nc(Oc(cc3)cc4c3OCO4)c2C(NCC2OCCC2)=O)c1

InChI

InChI=1S/C24H23N3O5/c1-15-4-2-5-16(10-15)22-25-13-19(23(28)26-12-18-6-3-9-29-18)24(27-22)32-17-7-8-20-21(11-17)31-14-30-20/h2,4-5,7-8,10-11,13,18H,3,6,9,12,14H2,1H3,(H,26,28)/t18-/m1/s1

InChI Key

ZAOQYZCTZBDRJH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14251939

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.84

Polar Surface Area

76.748

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

V005-8472 in Drug Discovery

Included in Screening Libraries

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:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V005-8472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8472?
Check Price and Availability of V005-8472, 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 V005-8472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8472
  • 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 V005-8472 available by request