8131-1511 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

8131-1511 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
8131-1511 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-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 8131-1511
3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-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

8131-1511

Molecular Formula

C23H21ClFN5O3 (C23 H21 ClFN5 O3)

Compound Name

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

SMILES

CN(c1c(C(N2Cc(c(F)ccc3)c3Cl)=O)n(CCCN3c4cc(OC)ccc4)c3n1)C2=O

InChI

InChI=1S/C23H21ClFN5O3/c1-27-20-19(21(31)30(23(27)32)13-16-17(24)8-4-9-18(16)25)29-11-5-10-28(22(29)26-20)14-6-3-7-15(12-14)33-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3

InChI Key

FDRBOJHGQVRJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.66

Polar Surface Area

52.327

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8131-1511 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

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 8131-1511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8131-1511?
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What is the minimum amount of 8131-1511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8131-1511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8131-1511
  • 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 8131-1511 available by request