V006-7688 Screening compound: 4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V006-7688 Screening compound: 4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V006-7688 Screening compound: 4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7688
4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-1H,2H,3H,4H,5H,6H,7H-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

V006-7688

Molecular Formula

C23H30N4O4 (C23 H30 N4 O4)

Compound Name

4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(24-dimethylphenyl)-1-ethyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCN(C(CN1CCC(N2CCOCC2)=O)=C(C(c2c(C)cc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C23H30N4O4/c1-4-27-18-14-26(8-7-19(28)25-9-11-31-12-10-25)22(29)20(18)21(24-23(27)30)17-6-5-15(2)13-16(17)3/h5-6,13,21H,4,7-12,14H2,1-3H3,(H,24,30)/t21-/m0/s1

InChI Key

HWYPLOQSOICGJV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19805239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.446

Water Solubility, LogSw

-2.22

Polar Surface Area

68.741

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

V006-7688 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-7688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7688?
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What is the minimum amount of V006-7688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7688
  • 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 V006-7688 available by request