V025-5012 Screening compound: N-cyclopropyl-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]acetamide

V025-5012 Screening compound: N-cyclopropyl-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]acetamide
V025-5012 Screening compound: N-cyclopropyl-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5012
N-cyclopropyl-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]acetamide

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

V025-5012

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

N-cyclopropyl-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]acetamide

IUPAC name

N-cyclopropyl-2-[4-(4-methylphenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]acetamide

SMILES

Cc1ccc(C(C(C(N(CC(NC2CC2)=O)C2)=O)=C2N2CC=C)NC2=O)cc1

InChI

InChI=1S/C21H24N4O3/c1-3-10-25-16-11-24(12-17(26)22-15-8-9-15)20(27)18(16)19(23-21(25)28)14-6-4-13(2)5-7-14/h3-7,15,19H,1,8-12H2,2H3,(H,22,26)(H,23,28)/t19-/m0/s1

InChI Key

SALNZDNKPYTDRO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19801677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-2.19

Polar Surface Area

69.243

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V025-5012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5012?
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What is the minimum amount of V025-5012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5012
  • 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 V025-5012 available by request