3238-0636 Screening compound: 1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0636 Screening compound: 1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0636 Screening compound: 1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0636
1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-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

3238-0636

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-[(naphthalen-1-yl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc4ccccc34)c(NCC3OCCC3)n1)C2=O

InChI

InChI=1S/C23H25N5O3/c1-26-20-19(21(29)27(2)23(26)30)28(22(25-20)24-13-17-10-6-12-31-17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,17H,6,10,12-14H2,1-2H3,(H,24,25)/t17-/m1/s1

InChI Key

NFUCGXADAYSGFV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05028567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.79

Polar Surface Area

63.229

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

3238-0636 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3238-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0636?
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What is the minimum amount of 3238-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0636
  • 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 3238-0636 available by request