D468-1266 Screening compound: 1-(3-methoxyphenyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1266 Screening compound: 1-(3-methoxyphenyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1266 Screening compound: 1-(3-methoxyphenyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1266
1-(3-methoxyphenyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

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

D468-1266

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

1-(3-methoxyphenyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

1-(3-methoxyphenyl)-4-(propylsulfanyl)-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CCCSC(C(CCC1)=C1N1c2cc(OC)ccc2)=NC1=O

InChI

InChI=1S/C17H20N2O2S/c1-3-10-22-16-14-8-5-9-15(14)19(17(20)18-16)12-6-4-7-13(11-12)21-2/h4,6-7,11H,3,5,8-10H2,1-2H3

InChI Key

GTPZOHZOPKWLCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.55

Polar Surface Area

31.690

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

D468-1266 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D468-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1266?
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What is the minimum amount of D468-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1266
  • 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 D468-1266 available by request