V024-1455 Screening compound: ethyl 2-[3-(4-fluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate

V024-1455 Screening compound: ethyl 2-[3-(4-fluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate
V024-1455 Screening compound: ethyl 2-[3-(4-fluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1455
ethyl 2-[3-(4-fluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate

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

V024-1455

Molecular Formula

C21H25FN4O4 (C21 H25 FN4 O4)

Compound Name

ethyl 2-[3-(4-fluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoate

IUPAC name

ethyl 2-[3-(4-fluorophenyl)-1-(3-methylbutyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]propanoate

SMILES

CCOC(C(C)n1c(C(N(CCC(C)C)C(N2c(cc3)ccc3F)=O)=O)c2nc1)=O

InChI

InChI=1S/C21H25FN4O4/c1-5-30-20(28)14(4)25-12-23-18-17(25)19(27)24(11-10-13(2)3)21(29)26(18)16-8-6-15(22)7-9-16/h6-9,12-14H,5,10-11H2,1-4H3/t14-/m0/s1

InChI Key

FUUWBNKCPRPRFJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19904515

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.47

Polar Surface Area

63.961

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V024-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1455?
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What is the minimum amount of V024-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1455
  • 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 V024-1455 available by request