D468-1185 Screening compound: 1-(3-acetylphenyl)-4-{[(4-fluorophenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1185 Screening compound: 1-(3-acetylphenyl)-4-{[(4-fluorophenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1185 Screening compound: 1-(3-acetylphenyl)-4-{[(4-fluorophenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1185
1-(3-acetylphenyl)-4-{[(4-fluorophenyl)methyl]sulfanyl}-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

D468-1185

Molecular Formula

C22H19FN2O2S (C22 H19 FN2 O2 S)

Compound Name

1-(3-acetylphenyl)-4-{[(4-fluorophenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

1-(3-acetylphenyl)-4-{[(4-fluorophenyl)methyl]sulfanyl}-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CC(c1cccc(N(C(CCC2)=C2C(SCc(cc2)ccc2F)=N2)C2=O)c1)=O

InChI

InChI=1S/C22H19FN2O2S/c1-14(26)16-4-2-5-18(12-16)25-20-7-3-6-19(20)21(24-22(25)27)28-13-15-8-10-17(23)11-9-15/h2,4-5,8-12H,3,6-7,13H2,1H3

InChI Key

QWDKDMNTUUAFHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.36

Polar Surface Area

37.701

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D468-1185 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with D468-1185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1185?
Check Price and Availability of D468-1185, 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 D468-1185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1185
  • 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 D468-1185 available by request