3238-0277 Screening compound: 8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0277 Screening compound: 8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0277 Screening compound: 8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0277
8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(2-methylphenyl)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

3238-0277

Molecular Formula

C19H25N5O3 (C19 H25 N5 O3)

Compound Name

8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(4-hydroxybutan-2-yl)amino]-13-dimethyl-7-[(2-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(CCO)Nc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1c(C)cccc1

InChI

InChI=1S/C19H25N5O3/c1-12-7-5-6-8-14(12)11-24-15-16(21-18(24)20-13(2)9-10-25)22(3)19(27)23(4)17(15)26/h5-8,13,25H,9-11H2,1-4H3,(H,20,21)/t13-/m0/s1

InChI Key

FZJZBGDIAQNCMS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05819978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-2.95

Polar Surface Area

71.215

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

3238-0277 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 3238-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0277?
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What is the minimum amount of 3238-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0277
  • 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 3238-0277 available by request