V029-5384 Screening compound: methyl 4-{[3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V029-5384 Screening compound: methyl 4-{[3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V029-5384 Screening compound: methyl 4-{[3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5384
methyl 4-{[3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-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

V029-5384

Molecular Formula

C27H20ClFN4O4 (C27 H20 ClFN4 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(Cn2c(C(N(Cc(cc3)ccc3F)C(N3c(cc4)ccc4Cl)=O)=O)c3nc2)cc1)=O

InChI

InChI=1S/C27H20ClFN4O4/c1-37-26(35)19-6-2-17(3-7-19)14-31-16-30-24-23(31)25(34)32(15-18-4-10-21(29)11-5-18)27(36)33(24)22-12-8-20(28)9-13-22/h2-13,16H,14-15H2,1H3

InChI Key

SXMITHXIDNDUNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921216

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.93

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

4.667

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-4.87

Polar Surface Area

63.448

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with V029-5384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5384?
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What is the minimum amount of V029-5384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5384
  • 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 V029-5384 available by request