V028-3680 Screening compound: 6-[2-(diethylamino)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V028-3680 Screening compound: 6-[2-(diethylamino)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V028-3680 Screening compound: 6-[2-(diethylamino)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3680
6-[2-(diethylamino)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V028-3680

Molecular Formula

C21H30N4O2 (C21 H30 N4 O2)

Compound Name

6-[2-(diethylamino)ethyl]-4-(2,4-dimethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-[2-(diethylamino)ethyl]-4-(24-dimethylphenyl)-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCN(CC)CCN(CC(N1C)=C2C(c3c(C)cc(C)cc3)NC1=O)C2=O

InChI

InChI=1S/C21H30N4O2/c1-6-24(7-2)10-11-25-13-17-18(20(25)26)19(22-21(27)23(17)5)16-9-8-14(3)12-15(16)4/h8-9,12,19H,6-7,10-11,13H2,1-5H3,(H,22,27)/t19-/m0/s1

InChI Key

KPFOAWFYAPVLGI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19776228

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

0.183

Water Solubility, LogSw

-2.74

Polar Surface Area

48.163

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

V028-3680 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-3680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3680?
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What is the minimum amount of V028-3680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3680
  • 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 V028-3680 available by request