0949-0241 Screening compound: 1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

0949-0241 Screening compound: 1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
0949-0241 Screening compound: 1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0949-0241
1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-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

0949-0241

Molecular Formula

C27H23BrN6O3 (C27 H23 BrN6 O3)

Compound Name

1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

17-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2Cc3ccccc3)=O)n(Cc3ccccc3)c(N/N=C/c(cc(cc3)Br)c3O)n1)C2=O

InChI

InChI=1S/C27H23BrN6O3/c1-32-24-23(25(36)34(27(32)37)17-19-10-6-3-7-11-19)33(16-18-8-4-2-5-9-18)26(30-24)31-29-15-20-14-21(28)12-13-22(20)35/h2-15,35H,16-17H2,1H3,(H,30,31)

InChI Key

LNQWAXJBHVDCHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00690173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.130

Distribution Coefficient, logD

6.123

Water Solubility, LogSw

-5.20

Polar Surface Area

82.260

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0949-0241 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0949-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0949-0241?
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What is the minimum amount of 0949-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0949-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0949-0241
  • 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 0949-0241 available by request