V029-8614 Screening compound: N-CYCLOPROPYL-2-[1-ETHYL-4-(4-METHYLPHENYL)-2,5-DIOXO-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDIN-6-YL]-2-METHYLPROPANAMIDE

V029-8614 Screening compound: N-CYCLOPROPYL-2-[1-ETHYL-4-(4-METHYLPHENYL)-2,5-DIOXO-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDIN-6-YL]-2-METHYLPROPANAMIDE
V029-8614 Screening compound: N-CYCLOPROPYL-2-[1-ETHYL-4-(4-METHYLPHENYL)-2,5-DIOXO-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDIN-6-YL]-2-METHYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8614
N-CYCLOPROPYL-2-[1-ETHYL-4-(4-METHYLPHENYL)-2,5-DIOXO-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDIN-6-YL]-2-METHYLPROPANAMIDE

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

V029-8614

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

N-CYCLOPROPYL-2-[1-ETHYL-4-(4-METHYLPHENYL)-2,5-DIOXO-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDIN-6-YL]-2-METHYLPROPANAMIDE

IUPAC name

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

SMILES

CCN(C(CN1C(C)(C)C(NC2CC2)=O)=C(C(c2ccc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C22H28N4O3/c1-5-25-16-12-26(22(3,4)20(28)23-15-10-11-15)19(27)17(16)18(24-21(25)29)14-8-6-13(2)7-9-14/h6-9,15,18H,5,10-12H2,1-4H3,(H,23,28)(H,24,29)/t18-/m0/s1

InChI Key

ZPUKQSOMRXNWKJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27633636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.109

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-2.76

Polar Surface Area

69.072

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V029-8614 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-8614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8614?
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What is the minimum amount of V029-8614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8614
  • 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 V029-8614 available by request