D389-0968 Screening compound: 1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0968 Screening compound: 1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0968 Screening compound: 1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0968
1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-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

D389-0968

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

1,7-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

IUPAC name

17-dimethyl-3-(2-oxopropyl)-9-(2-phenylethyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CC1CN(CCc2ccccc2)c2nc(N(C)C(N(CC(C)=O)C3=O)=O)c3n2C1

InChI

InChI=1S/C21H25N5O3/c1-14-11-24(10-9-16-7-5-4-6-8-16)20-22-18-17(25(20)12-14)19(28)26(13-15(2)27)21(29)23(18)3/h4-8,14H,9-13H2,1-3H3/t14-/m0/s1

InChI Key

BJPJIGGLDCFNJY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08997015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-2.49

Polar Surface Area

58.680

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D389-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for D389-0968
  • 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 D389-0968 available by request