V028-3701 Screening compound: 2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(propan-2-yl)acetamide

V028-3701 Screening compound: 2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(propan-2-yl)acetamide
V028-3701 Screening compound: 2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3701
2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(propan-2-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

V028-3701

Molecular Formula

C20H26N4O5 (C20 H26 N4 O5)

Compound Name

2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(propan-2-yl)acetamide

IUPAC name

2-[4-(23-dimethoxyphenyl)-1-methyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(CC(N1C)=C2C(c(cccc3OC)c3OC)NC1=O)C2=O)=O

InChI

InChI=1S/C20H26N4O5/c1-11(2)21-15(25)10-24-9-13-16(19(24)26)17(22-20(27)23(13)3)12-7-6-8-14(28-4)18(12)29-5/h6-8,11,17H,9-10H2,1-5H3,(H,21,25)(H,22,27)/t17-/m0/s1

InChI Key

LMGCWGKLGARXRL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19936577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.508

Distribution Coefficient, logD

0.494

Water Solubility, LogSw

-1.93

Polar Surface Area

83.567

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with V028-3701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3701?
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What is the minimum amount of V028-3701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3701
  • 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 V028-3701 available by request