V029-8626 Screening compound: 2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-[(pyridin-2-yl)methyl]propanamide

V029-8626 Screening compound: 2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-[(pyridin-2-yl)methyl]propanamide
V029-8626 Screening compound: 2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8626
2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-[(pyridin-2-yl)methyl]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

V029-8626

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN1C(C)(C)C(NCc2ncccc2)=O)=C(C(c2ccc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C25H29N5O3/c1-5-29-19-15-30(25(3,4)23(32)27-14-18-8-6-7-13-26-18)22(31)20(19)21(28-24(29)33)17-11-9-16(2)10-12-17/h6-13,21H,5,14-15H2,1-4H3,(H,27,32)(H,28,33)/t21-/m0/s1

InChI Key

SCTIGVBRFPKNRS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27633638

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-2.57

Polar Surface Area

78.559

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V029-8626 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 V029-8626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8626?
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What is the minimum amount of V029-8626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8626
  • 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 V029-8626 available by request