V022-1304 Screening compound: methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate

V022-1304 Screening compound: methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate
V022-1304 Screening compound: methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-1304
methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate

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

V022-1304

Molecular Formula

C22H20N4O4 (C22 H20 N4 O4)

Compound Name

methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate

IUPAC name

methyl 3-[(1-ethyl-26-dioxo-3-phenyl-2367-tetrahydro-1H-purin-7-yl)methyl]benzoate

SMILES

CCN(C(c1c(N2c3ccccc3)ncn1Cc1cc(C(OC)=O)ccc1)=O)C2=O

InChI

InChI=1S/C22H20N4O4/c1-3-25-20(27)18-19(26(22(25)29)17-10-5-4-6-11-17)23-14-24(18)13-15-8-7-9-16(12-15)21(28)30-2/h4-12,14H,3,13H2,1-2H3

InChI Key

XNWHCCUTOSPMPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904656

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.69

Polar Surface Area

63.445

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V022-1304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-1304?
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What is the minimum amount of V022-1304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1304
  • 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 V022-1304 available by request