V022-1286 Screening compound: methyl 2-{[1-ethyl-3-(4-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V022-1286 Screening compound: methyl 2-{[1-ethyl-3-(4-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V022-1286 Screening compound: methyl 2-{[1-ethyl-3-(4-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-1286
methyl 2-{[1-ethyl-3-(4-methylphenyl)-2,6-dioxo-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

V022-1286

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

methyl 2-{[1-ethyl-3-(4-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

IUPAC name

methyl 2-{[1-ethyl-3-(4-methylphenyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzoate

SMILES

CCN(C(c1c(N2c3ccc(C)cc3)ncn1Cc(cccc1)c1C(OC)=O)=O)C2=O

InChI

InChI=1S/C23H22N4O4/c1-4-26-21(28)19-20(27(23(26)30)17-11-9-15(2)10-12-17)24-14-25(19)13-16-7-5-6-8-18(16)22(29)31-3/h5-12,14H,4,13H2,1-3H3

InChI Key

VOXIXIYZODFCSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921359

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.45

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

3.160

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.30

Polar Surface Area

63.445

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with V022-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-1286?
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What is the minimum amount of V022-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1286
  • 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 V022-1286 available by request