D389-1145 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-1145 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-1145 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-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 D389-1145
3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-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

D389-1145

Molecular Formula

C24H23ClFN5O2 (C24 H23 ClFN5 O2)

Compound Name

3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

IUPAC name

3-[(2-chloro-6-fluorophenyl)methyl]-9-(24-dimethylphenyl)-1-methyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

Cc(cc1)cc(C)c1N1c2nc(N(C)C(N(Cc(c(F)ccc3)c3Cl)C3=O)=O)c3n2CCC1

InChI

InChI=1S/C24H23ClFN5O2/c1-14-8-9-19(15(2)12-14)29-10-5-11-30-20-21(27-23(29)30)28(3)24(33)31(22(20)32)13-16-17(25)6-4-7-18(16)26/h4,6-9,12H,5,10-11,13H2,1-3H3

InChI Key

BQWHEGLOJBHMBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08365165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.524

Distribution Coefficient, logD

5.522

Water Solubility, LogSw

-5.83

Polar Surface Area

44.482

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D389-1145 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D389-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-1145?
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What is the minimum amount of D389-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-1145
  • 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 D389-1145 available by request