V021-2287 Screening compound: methyl 2-{[3-(3-fluorophenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate

V021-2287 Screening compound: methyl 2-{[3-(3-fluorophenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
V021-2287 Screening compound: methyl 2-{[3-(3-fluorophenyl)-1-(2-methylpropyl)-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 V021-2287
methyl 2-{[3-(3-fluorophenyl)-1-(2-methylpropyl)-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

V021-2287

Molecular Formula

C21H20FN5O5 (C21 H20 FN5 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(c1c(N2c3cccc(F)c3)ncn1Cc1nc(C(OC)=O)co1)=O)C2=O

InChI

InChI=1S/C21H20FN5O5/c1-12(2)8-26-19(28)17-18(27(21(26)30)14-6-4-5-13(22)7-14)23-11-25(17)9-16-24-15(10-32-16)20(29)31-3/h4-7,10-12H,8-9H2,1-3H3

InChI Key

MJMGSNQNLVOHLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921368

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

2.010

Water Solubility, LogSw

-2.49

Polar Surface Area

82.126

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V021-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2287?
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What is the minimum amount of V021-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2287
  • 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 V021-2287 available by request