C280-1019 Screening compound: 2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

C280-1019 Screening compound: 2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
C280-1019 Screening compound: 2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1019
2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-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

C280-1019

Molecular Formula

C27H29N3O2S2 (C27 H29 N3 O2 S2)

Compound Name

2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

CC(C1)SC(C(N2c3ccccc3)=O)=C1N=C2SCC(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C27H29N3O2S2/c1-19-16-23-25(34-19)26(32)30(22-10-6-3-7-11-22)27(28-23)33-18-24(31)29-14-12-21(13-15-29)17-20-8-4-2-5-9-20/h2-11,19,21H,12-18H2,1H3/t19-/m0/s1

InChI Key

IKTOSCSPZHBQSJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04997143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.56

Polar Surface Area

41.617

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C280-1019 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C280-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1019?
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What is the minimum amount of C280-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1019
  • 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 C280-1019 available by request