V018-3253 Screening compound: 4-(2,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V018-3253 Screening compound: 4-(2,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V018-3253 Screening compound: 4-(2,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3253
4-(2,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-6-[(pyridin-3-yl)methyl]-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

V018-3253

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

4-(2,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(25-dimethoxyphenyl)-1-(prop-2-en-1-yl)-6-[(pyridin-3-yl)methyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

COc(cc1)cc(C(C(C(N(Cc2cnccc2)C2)=O)=C2N2CC=C)NC2=O)c1OC

InChI

InChI=1S/C23H24N4O4/c1-4-10-27-18-14-26(13-15-6-5-9-24-12-15)22(28)20(18)21(25-23(27)29)17-11-16(30-2)7-8-19(17)31-3/h4-9,11-12,21H,1,10,13-14H2,2-3H3,(H,25,29)/t21-/m0/s1

InChI Key

NQYOSPVPNYUFHP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19773775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.882

Distribution Coefficient, logD

1.876

Water Solubility, LogSw

-2.19

Polar Surface Area

69.407

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V018-3253 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3253?
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What is the minimum amount of V018-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3253
  • 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 V018-3253 available by request