V029-7621 Screening compound: methyl 2-{[3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate

V029-7621 Screening compound: methyl 2-{[3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
V029-7621 Screening compound: methyl 2-{[3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7621
methyl 2-{[3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate

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

V029-7621

Molecular Formula

C20H18FN5O6 (C20 H18 FN5 O6)

Compound Name

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

IUPAC name

methyl 2-{[3-(4-fluorophenyl)-1-(2-methoxyethyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}-13-oxazole-4-carboxylate

SMILES

COCCN(C(c1c(N2c(cc3)ccc3F)ncn1Cc1nc(C(OC)=O)co1)=O)C2=O

InChI

InChI=1S/C20H18FN5O6/c1-30-8-7-25-18(27)16-17(26(20(25)29)13-5-3-12(21)4-6-13)22-11-24(16)9-15-23-14(10-32-15)19(28)31-2/h3-6,10-11H,7-9H2,1-2H3

InChI Key

MRMXIJUWHBBFHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921429

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.600

Distribution Coefficient, logD

0.600

Water Solubility, LogSw

-1.45

Polar Surface Area

90.447

Acid Dissociation Constant (pKa)

28.34

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V029-7621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7621?
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What is the minimum amount of V029-7621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7621
  • 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 V029-7621 available by request