V029-1144 Screening compound: methyl 3-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V029-1144 Screening compound: methyl 3-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V029-1144 Screening compound: methyl 3-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1144
methyl 3-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-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

V029-1144

Molecular Formula

C24H22N4O4 (C24 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(c1c(C(N2CC=C)=O)n(Cc3cc(C(OC)=O)ccc3)cn1)C2=O

InChI

InChI=1S/C24H22N4O4/c1-4-12-27-22(29)20-21(28(24(27)31)19-10-8-16(2)9-11-19)25-15-26(20)14-17-6-5-7-18(13-17)23(30)32-3/h4-11,13,15H,1,12,14H2,2-3H3

InChI Key

SAXGQMSCSDFVEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904781

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.46

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

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.23

Polar Surface Area

63.698

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V029-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1144?
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What is the minimum amount of V029-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1144
  • 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 V029-1144 available by request