V012-5899 Screening compound: ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate

V012-5899 Screening compound: ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate
V012-5899 Screening compound: ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5899
ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate

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

V012-5899

Molecular Formula

C21H26N4O4 (C21 H26 N4 O4)

Compound Name

ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate

IUPAC name

ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]propanoate

SMILES

CCOC(C(C)n1c(C(N(CC(C)C)C(N2c3c(C)cccc3)=O)=O)c2nc1)=O

InChI

InChI=1S/C21H26N4O4/c1-6-29-20(27)15(5)24-12-22-18-17(24)19(26)23(11-13(2)3)21(28)25(18)16-10-8-7-9-14(16)4/h7-10,12-13,15H,6,11H2,1-5H3/t15-/m0/s1

InChI Key

RVLHJCUNMZLBDT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19904631

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.50

Polar Surface Area

63.682

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V012-5899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5899?
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What is the minimum amount of V012-5899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5899
  • 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 V012-5899 available by request