5055-7347 Screening compound: 1-[4-(difluoromethoxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone

5055-7347 Screening compound: 1-[4-(difluoromethoxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone
5055-7347 Screening compound: 1-[4-(difluoromethoxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7347
1-[4-(difluoromethoxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-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

5055-7347

Molecular Formula

C19H16F2N2O2S2 (C19 H16 F2 N2 O2 S2)

Compound Name

1-[4-(difluoromethoxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone

IUPAC name

1-[4-(difluoromethoxy)phenyl]-2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1c(c(CCCC2)c2s2)c2ncn1)c(cc1)ccc1OC(F)F

InChI

InChI=1S/C19H16F2N2O2S2/c20-19(21)25-12-7-5-11(6-8-12)14(24)9-26-17-16-13-3-1-2-4-15(13)27-18(16)23-10-22-17/h5-8,10,19H,1-4,9H2

InChI Key

WJEFIOLWCQYLOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-4.96

Polar Surface Area

40.785

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

5055-7347 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5055-7347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7347?
Check Price and Availability of 5055-7347, 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 5055-7347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7347
  • 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 5055-7347 available by request