3033-1794 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide

3033-1794 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide
3033-1794 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1794
2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)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

3033-1794

Molecular Formula

C17H17N7O5 (C17 H17 N7 O5)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-(13-dimethyl-26-dioxo-2369-tetrahydro-1H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide

SMILES

Cc(ccc(C=NNC(Cn1c(N(C)C(N(C)C2=O)=O)c2nc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H17N7O5/c1-10-4-5-11(6-12(10)24(28)29)7-19-20-13(25)8-23-9-18-14-15(23)21(2)17(27)22(3)16(14)26/h4-7,9H,8H2,1-3H3,(H,20,25)

InChI Key

CICGQGHCEACZHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01786252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.173

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-2.51

Polar Surface Area

111.359

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3033-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-1794?
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What is the minimum amount of 3033-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1794
  • 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 3033-1794 available by request