V028-1284 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(diethylamino)-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

V028-1284 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(diethylamino)-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
V028-1284 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(diethylamino)-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1284
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(diethylamino)-2-(3,4,5-trimethoxyphenyl)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

V028-1284

Molecular Formula

C26H30N4O6 (C26 H30 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(diethylamino)-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(diethylamino)-2-(345-trimethoxyphenyl)pyrimidine-5-carboxamide

SMILES

CCN(CC)c(nc(-c(cc1OC)cc(OC)c1OC)nc1)c1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H30N4O6/c1-6-30(7-2)25-18(26(31)28-13-16-8-9-19-20(10-16)36-15-35-19)14-27-24(29-25)17-11-21(32-3)23(34-5)22(12-17)33-4/h8-12,14H,6-7,13,15H2,1-5H3,(H,28,31)

InChI Key

RWYGNVZBWCVARY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250884

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.026

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-4.09

Polar Surface Area

86.236

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V028-1284 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 V028-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1284?
Check Price and Availability of V028-1284, 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 V028-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1284
  • 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 V028-1284 available by request