V028-8621 Screening compound: N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide

V028-8621 Screening compound: N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
V028-8621 Screening compound: N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8621
N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide

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

V028-8621

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide

IUPAC name

N-[2-(dimethylamino)ethyl]-2-[4-(24-dimethylphenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]acetamide

SMILES

Cc1cc(C)c(C(C(C(N(CC(NCCN(C)C)=O)C2)=O)=C2N2CC=C)NC2=O)cc1

InChI

InChI=1S/C23H31N5O3/c1-6-10-28-18-13-27(14-19(29)24-9-11-26(4)5)22(30)20(18)21(25-23(28)31)17-8-7-15(2)12-16(17)3/h6-8,12,21H,1,9-11,13-14H2,2-5H3,(H,24,29)(H,25,31)/t21-/m0/s1

InChI Key

DVZJVWFLSQRNSH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19806253

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.575

Distribution Coefficient, logD

0.241

Water Solubility, LogSw

-2.26

Polar Surface Area

73.165

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

V028-8621 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-8621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8621?
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What is the minimum amount of V028-8621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8621
  • 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 V028-8621 available by request