1486-0527 Screening compound: 7-heptyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

1486-0527 Screening compound: 7-heptyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1486-0527 Screening compound: 7-heptyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1486-0527
7-heptyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-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

1486-0527

Molecular Formula

C21H27N7O4 (C21 H27 N7 O4)

Compound Name

7-heptyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-heptyl-3-methyl-8-[(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCCn1c(N/N=C(/C)\c(cc2)ccc2[N+]([O-])=O)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C21H27N7O4/c1-4-5-6-7-8-13-27-17-18(26(3)21(30)23-19(17)29)22-20(27)25-24-14(2)15-9-11-16(12-10-15)28(31)32/h9-12H,4-8,13H2,1-3H3,(H,22,25)(H,23,29,30)

InChI Key

VMMUAMAEJYDSEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-4.85

Polar Surface Area

107.582

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 1486-0527 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 1486-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1486-0527
  • 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 1486-0527 available by request