6280-1362 Screening compound: 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)-1-ethanone

6280-1362 Screening compound: 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)-1-ethanone
6280-1362 Screening compound: 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6280-1362
2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)-1-ethanone

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

6280-1362

Molecular Formula

C19H18ClN3OS2 (C19 H18 ClN3 OS2)

Compound Name

2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)-1-ethanone

IUPAC name

2-({3-amino-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one

SMILES

Nc1c(c(CCCCC2)c2s2)c2nc(SCC(c(cc2)ccc2Cl)=O)n1

InChI

InChI=1S/C19H18ClN3OS2/c20-12-8-6-11(7-9-12)14(24)10-25-19-22-17(21)16-13-4-2-1-3-5-15(13)26-18(16)23-19/h6-9H,1-5,10H2,(H2,21,22,23)

InChI Key

UAGLXIWKMPQPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-6.04

Polar Surface Area

52.560

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6280-1362 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6280-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-1362?
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What is the minimum amount of 6280-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-1362
  • 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 6280-1362 available by request