V009-0472 Screening compound: 4-(2-chlorophenyl)-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V009-0472 Screening compound: 4-(2-chlorophenyl)-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V009-0472 Screening compound: 4-(2-chlorophenyl)-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0472
4-(2-chlorophenyl)-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-(prop-2-en-1-yl)-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

V009-0472

Molecular Formula

C28H30ClN5O4 (C28 H30 ClN5 O4)

Compound Name

4-(2-chlorophenyl)-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(2-chlorophenyl)-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

COc(cccc1)c1N(CC1)CCN1C(CN(CC(N1CC=C)=C2C(c(cccc3)c3Cl)NC1=O)C2=O)=O

InChI

InChI=1S/C28H30ClN5O4/c1-3-12-34-22-17-33(27(36)25(22)26(30-28(34)37)19-8-4-5-9-20(19)29)18-24(35)32-15-13-31(14-16-32)21-10-6-7-11-23(21)38-2/h3-11,26H,1,12-18H2,2H3,(H,30,37)/t26-/m1/s1

InChI Key

PRUCTYDNQLJJTK-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19936315

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.904

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.46

Polar Surface Area

71.697

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V009-0472 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V009-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0472?
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What is the minimum amount of V009-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0472
  • 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 V009-0472 available by request