0793-0276 Screening compound: 8-{2-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

0793-0276 Screening compound: 8-{2-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
0793-0276 Screening compound: 8-{2-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0793-0276
8-{2-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-7-(2-hydroxyethyl)-3-methyl-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

0793-0276

Molecular Formula

C16H14BrN7O4 (C16 H14 BrN7 O4)

Compound Name

8-{2-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

n/a

SMILES

CN(c1c(C(N2)=O)n(CCO)c(N/N=C(\c(cc(cc3)Br)c3N3)/C3=O)n1)C2=O

InChI

InChI=1S/C16H14BrN7O4/c1-23-12-11(14(27)20-16(23)28)24(4-5-25)15(19-12)22-21-10-8-6-7(17)2-3-9(8)18-13(10)26/h2-3,6,25H,4-5H2,1H3,(H,19,22)(H,18,21,26)(H,20,27,28)

InChI Key

MNQCDUUSRYECSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00612253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-2.63

Polar Surface Area

115.378

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

0793-0276 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0793-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0793-0276?
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What is the minimum amount of 0793-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0793-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0793-0276
  • 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 0793-0276 available by request