V001-5242 Screening compound: 4-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V001-5242 Screening compound: 4-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V001-5242 Screening compound: 4-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-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 V001-5242
4-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-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

V001-5242

Molecular Formula

C24H24FN3O4 (C24 H24 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(C(C(C(N(Cc(cc2)ccc2F)C2)=O)=C2N2CC=C)NC2=O)c1OC

InChI

InChI=1S/C24H24FN3O4/c1-4-11-28-19-14-27(13-15-5-7-16(25)8-6-15)23(29)21(19)22(26-24(28)30)18-12-17(31-2)9-10-20(18)32-3/h4-10,12,22H,1,11,13-14H2,2-3H3,(H,26,30)/t22-/m1/s1

InChI Key

DCWAMTBSDLUSHK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19773539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.47

Polar Surface Area

59.889

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V001-5242 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-5242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5242?
Check Price and Availability of V001-5242, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-5242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5242
  • 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 V001-5242 available by request