2280-3131 Screening compound: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2280-3131 Screening compound: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2280-3131 Screening compound: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2280-3131
8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

2280-3131

Molecular Formula

C18H22N6O3 (C18 H22 N6 O3)

Compound Name

8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)Cn1c(N/N=C/c(cc2)ccc2OC)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C18H22N6O3/c1-11(2)10-24-14-15(23(3)18(26)21-16(14)25)20-17(24)22-19-9-12-5-7-13(27-4)8-6-12/h5-9,11H,10H2,1-4H3,(H,20,22)(H,21,25,26)

InChI Key

WPOMQCRZJXCYTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.63

Polar Surface Area

82.478

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2280-3131 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 2280-3131
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2280-3131
  • 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 2280-3131 available by request