V016-9461 Screening compound: 2-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N-dipropylacetamide

V016-9461 Screening compound: 2-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N-dipropylacetamide
V016-9461 Screening compound: 2-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9461
2-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N-dipropylacetamide

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

V016-9461

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

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

IUPAC name

2-[1-methyl-4-(4-methylphenyl)-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CN(CC(N1C)=C2C(c3ccc(C)cc3)NC1=O)C2=O)=O

InChI

InChI=1S/C22H30N4O3/c1-5-11-25(12-6-2)18(27)14-26-13-17-19(21(26)28)20(23-22(29)24(17)4)16-9-7-15(3)8-10-16/h7-10,20H,5-6,11-14H2,1-4H3,(H,23,29)/t20-/m0/s1

InChI Key

GTTQKAKYFVKVOX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19936415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.60

Polar Surface Area

60.686

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V016-9461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9461?
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What is the minimum amount of V016-9461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9461
  • 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 V016-9461 available by request