4236-0915 Screening compound: 7-benzyl-8-[(butan-2-yl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-0915 Screening compound: 7-benzyl-8-[(butan-2-yl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-0915 Screening compound: 7-benzyl-8-[(butan-2-yl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-0915
7-benzyl-8-[(butan-2-yl)amino]-1,3-dimethyl-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

4236-0915

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

7-benzyl-8-[(butan-2-yl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-benzyl-8-[(butan-2-yl)amino]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCC(C)Nc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1ccccc1

InChI

InChI=1S/C18H23N5O2/c1-5-12(2)19-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,19,20)/t12-/m0/s1

InChI Key

KPDCUCZCPNTJNA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02735958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.62

Polar Surface Area

54.559

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

4236-0915 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4236-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-0915?
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What is the minimum amount of 4236-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-0915
  • 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 4236-0915 available by request