V017-7561 Screening compound: N-cyclopropyl-3-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

V017-7561 Screening compound: N-cyclopropyl-3-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide
V017-7561 Screening compound: N-cyclopropyl-3-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7561
N-cyclopropyl-3-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

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

V017-7561

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

N-cyclopropyl-3-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

IUPAC name

N-cyclopropyl-3-[4-(24-dimethylphenyl)-1-methyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]propanamide

SMILES

Cc1cc(C)c(C(C(C(N(CCC(NC2CC2)=O)C2)=O)=C2N2C)NC2=O)cc1

InChI

InChI=1S/C21H26N4O3/c1-12-4-7-15(13(2)10-12)19-18-16(24(3)21(28)23-19)11-25(20(18)27)9-8-17(26)22-14-5-6-14/h4,7,10,14,19H,5-6,8-9,11H2,1-3H3,(H,22,26)(H,23,28)/t19-/m0/s1

InChI Key

BRRQRJSLVBSKAZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19808035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

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

1.672

Distribution Coefficient, logD

1.489

Water Solubility, LogSw

-2.36

Polar Surface Area

69.008

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

V017-7561 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 V017-7561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7561?
Check Price and Availability of V017-7561, 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 V017-7561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7561
  • 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 V017-7561 available by request