4236-1051 Screening compound: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-7-(2,3-dihydroxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1051 Screening compound: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-7-(2,3-dihydroxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1051 Screening compound: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-7-(2,3-dihydroxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1051
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-7-(2,3-dihydroxypropyl)-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

4236-1051

Molecular Formula

C16H17BrN6O4 (C16 H17 BrN6 O4)

Compound Name

8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-7-(2,3-dihydroxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-7-(23-dihydroxypropyl)-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CC(CO)O)c(N/N=C/c(cc3)ccc3Br)n1)C2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.25

Polar Surface Area

108.669

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4236-1051 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4236-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4236-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1051
  • 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 4236-1051 available by request