D468-0770 Screening compound: 4-{[(4-chlorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-0770 Screening compound: 4-{[(4-chlorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-0770 Screening compound: 4-{[(4-chlorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0770
4-{[(4-chlorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-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

D468-0770

Molecular Formula

C19H21ClN2O2S (C19 H21 ClN2 O2 S)

Compound Name

4-{[(4-chlorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

4-{[(4-chlorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

O=C(N(CC1OCCC1)C1=C2CCC1)N=C2SCc(cc1)ccc1Cl

InChI

InChI=1S/C19H21ClN2O2S/c20-14-8-6-13(7-9-14)12-25-18-16-4-1-5-17(16)22(19(23)21-18)11-15-3-2-10-24-15/h6-9,15H,1-5,10-12H2/t15-/m1/s1

InChI Key

WNQMULDXYWTZCS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08139851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.91

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

3.182

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.48

Polar Surface Area

33.140

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D468-0770 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D468-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0770?
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What is the minimum amount of D468-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0770
  • 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 D468-0770 available by request