C470-0518 Screening compound: 2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

C470-0518 Screening compound: 2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
C470-0518 Screening compound: 2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0518
2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

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

C470-0518

Molecular Formula

C20H24FN7O3 (C20 H24 FN7 O3)

Compound Name

2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

IUPAC name

2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(N)=O)c(CN(CC3)CCN3c(cccc3)c3F)n1)C2=O

InChI

InChI=1S/C20H24FN7O3/c1-24-18-17(19(30)25(2)20(24)31)28(11-15(22)29)16(23-18)12-26-7-9-27(10-8-26)14-6-4-3-5-13(14)21/h3-6H,7-12H2,1-2H3,(H2,22,29)

InChI Key

KXLUHPWPJRWECZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.739

Distribution Coefficient, logD

0.739

Water Solubility, LogSw

-1.40

Polar Surface Area

84.032

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C470-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0518
  • 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 C470-0518 available by request