8015-2227 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(E)-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene]acetohydrazide

8015-2227 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(E)-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene]acetohydrazide
8015-2227 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(E)-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2227
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(E)-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene]acetohydrazide

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

8015-2227

Molecular Formula

C21H17F3N6O5 (C21 H17 F3 N6 O5)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N'-[(E)-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene]acetohydrazide

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N'-[(E)-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene]acetohydrazide

SMILES

CN(c1c(C(N2C)=O)n(CC(N/N=C/c3ccc(-c(cc4)ccc4OC(F)(F)F)o3)=O)cn1)C2=O

InChI

InChI=1S/C21H17F3N6O5/c1-28-18-17(19(32)29(2)20(28)33)30(11-25-18)10-16(31)27-26-9-14-7-8-15(34-14)12-3-5-13(6-4-12)35-21(22,23)24/h3-9,11H,10H2,1-2H3,(H,27,31)

InChI Key

PDSRIRUVLZJOKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.56

Polar Surface Area

91.841

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8015-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2227?
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What is the minimum amount of 8015-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2227
  • 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 8015-2227 available by request