8012-8668 Screening compound: 8-[(2E)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-[(naphthalen-1-yl)methylidene]hydrazin-1-yl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-8668 Screening compound: 8-[(2E)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-[(naphthalen-1-yl)methylidene]hydrazin-1-yl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-8668 Screening compound: 8-[(2E)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-[(naphthalen-1-yl)methylidene]hydrazin-1-yl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8668
8-[(2E)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-[(naphthalen-1-yl)methylidene]hydrazin-1-yl]-1,3,7-trimethyl-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

8012-8668

Molecular Formula

C27H25N7O5 (C27 H25 N7 O5)

Compound Name

8-[(2E)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-[(naphthalen-1-yl)methylidene]hydrazin-1-yl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2E)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-[(naphthalen-1-yl)methylidene]hydrazin-1-yl]-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(N(Cc(cc2)cc([N+]([O-])=O)c2OC)/N=C/c2cccc3ccccc23)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C27H25N7O5/c1-30-23-24(31(2)27(36)32(3)25(23)35)29-26(30)33(16-17-12-13-22(39-4)21(14-17)34(37)38)28-15-19-10-7-9-18-8-5-6-11-20(18)19/h5-15H,16H2,1-4H3

InChI Key

GWKKRBCRGDKLOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.49

Polar Surface Area

95.011

Acid Dissociation Constant (pKa)

17.85

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 8012-8668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8668?
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What is the minimum amount of 8012-8668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8668
  • 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 8012-8668 available by request