V016-9831 Screening compound: 4-(2,5-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V016-9831 Screening compound: 4-(2,5-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V016-9831 Screening compound: 4-(2,5-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9831
4-(2,5-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V016-9831

Molecular Formula

C20H27N3O4 (C20 H27 N3 O4)

Compound Name

4-(2,5-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(25-dimethoxyphenyl)-1-methyl-6-(3-methylbutyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CC(C)CCN(CC(N1C)=C2C(c(cc(cc3)OC)c3OC)NC1=O)C2=O

InChI

InChI=1S/C20H27N3O4/c1-12(2)8-9-23-11-15-17(19(23)24)18(21-20(25)22(15)3)14-10-13(26-4)6-7-16(14)27-5/h6-7,10,12,18H,8-9,11H2,1-5H3,(H,21,25)/t18-/m0/s1

InChI Key

RBAUWSUTOFNZPR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19776339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-3.30

Polar Surface Area

59.926

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V016-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9831?
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What is the minimum amount of V016-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9831
  • 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 V016-9831 available by request