V012-6976 Screening compound: 1-ethyl-3-(3-methoxyphenyl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V012-6976 Screening compound: 1-ethyl-3-(3-methoxyphenyl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V012-6976 Screening compound: 1-ethyl-3-(3-methoxyphenyl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6976
1-ethyl-3-(3-methoxyphenyl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-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

V012-6976

Molecular Formula

C17H20N4O3 (C17 H20 N4 O3)

Compound Name

1-ethyl-3-(3-methoxyphenyl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-ethyl-3-(3-methoxyphenyl)-7-(propan-2-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(C(c1c(N2c3cc(OC)ccc3)ncn1C(C)C)=O)C2=O

InChI

InChI=1S/C17H20N4O3/c1-5-19-16(22)14-15(18-10-20(14)11(2)3)21(17(19)23)12-7-6-8-13(9-12)24-4/h6-11H,5H2,1-4H3

InChI Key

WMMNORUELNWXCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19905024

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.59

Polar Surface Area

50.877

Acid Dissociation Constant (pKa)

21.30

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with V012-6976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6976?
Check Price and Availability of V012-6976, 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 V012-6976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6976
  • 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 V012-6976 available by request