D389-1007 Screening compound: 9-(3-chloro-4-methylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-1007 Screening compound: 9-(3-chloro-4-methylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-1007 Screening compound: 9-(3-chloro-4-methylphenyl)-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 D389-1007
9-(3-chloro-4-methylphenyl)-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

D389-1007

Molecular Formula

C16H16ClN5O2 (C16 H16 ClN5 O2)

Compound Name

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

IUPAC name

9-(3-chloro-4-methylphenyl)-1-methyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

Cc(ccc(N1c2nc(N(C)C(NC3=O)=O)c3n2CCC1)c1)c1Cl

InChI

InChI=1S/C16H16ClN5O2/c1-9-4-5-10(8-11(9)17)21-6-3-7-22-12-13(18-15(21)22)20(2)16(24)19-14(12)23/h4-5,8H,3,6-7H2,1-2H3,(H,19,23,24)

InChI Key

DTFWBVWQFLCTMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08365037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.75

Polar Surface Area

53.734

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D389-1007 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 D389-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-1007?
Check Price and Availability of D389-1007, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D389-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-1007
  • 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 D389-1007 available by request