8005-9554 Screening compound: 4-(dimethylamino)benzaldehyde 1-{2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-1H-purin-8-yl}hydrazone

8005-9554 Screening compound: 4-(dimethylamino)benzaldehyde 1-{2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-1H-purin-8-yl}hydrazone
8005-9554 Screening compound: 4-(dimethylamino)benzaldehyde 1-{2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-1H-purin-8-yl}hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9554
4-(dimethylamino)benzaldehyde 1-{2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-1H-purin-8-yl}hydrazone

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

8005-9554

Molecular Formula

C19H24N8O5 (C19 H24 N8 O5)

Compound Name

4-(dimethylamino)benzaldehyde 1-{2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-1H-purin-8-yl}hydrazone

IUPAC name

2-amino-9-[34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2E)-2-{[4-(dimethylamino)phenyl]methylidene}hydrazin-1-yl]-69-dihydro-1H-purin-6-one

SMILES

CN(C)c1ccc(/C=N/Nc(n2C(C3O)OC(CO)C3O)nc3c2N=C(N)NC3=O)cc1

InChI

InChI=1S/C19H24N8O5/c1-26(2)10-5-3-9(4-6-10)7-21-25-19-22-12-15(23-18(20)24-16(12)31)27(19)17-14(30)13(29)11(8-28)32-17/h3-7,11,13-14,17,28-30H,8H2,1-2H3,(H,22,25)(H3,20,23,24,31)

InChI Key

STHKNNLRWCJMPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.183

Distribution Coefficient, logD

0.179

Water Solubility, LogSw

-1.91

Polar Surface Area

150.974

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.84

8005-9554 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8005-9554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9554?
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What is the minimum amount of 8005-9554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9554
  • 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 8005-9554 available by request