V010-5825 Screening compound: 2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide

V010-5825 Screening compound: 2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide
V010-5825 Screening compound: 2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5825
2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide

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

V010-5825

Molecular Formula

C30H34N4O4 (C30 H34 N4 O4)

Compound Name

2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide

IUPAC name

2-[4-(4-methylphenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide

SMILES

Cc1ccc(C(C(C(N(C2)C(Cc3ccccc3)C(NCC3OCCC3)=O)=O)=C2N2CC=C)NC2=O)cc1

InChI

InChI=1S/C30H34N4O4/c1-3-15-33-25-19-34(29(36)26(25)27(32-30(33)37)22-13-11-20(2)12-14-22)24(17-21-8-5-4-6-9-21)28(35)31-18-23-10-7-16-38-23/h3-6,8-9,11-14,23-24,27H,1,7,10,15-19H2,2H3,(H,31,35)(H,32,37)

InChI Key

OAXDEMVBRIXGJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.53

Polar Surface Area

76.874

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.70

V010-5825 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 V010-5825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5825?
Check Price and Availability of V010-5825, 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 V010-5825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5825
  • 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 V010-5825 available by request