2650-6800 Screening compound: 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

2650-6800 Screening compound: 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide
2650-6800 Screening compound: 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2650-6800
2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

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

2650-6800

Molecular Formula

C22H20F3N3O2S2 (C22 H20 F3 N3 O2 S2)

Compound Name

2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

C=CCN1C(SCC(Nc2cc(C(F)(F)F)ccc2)=O)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C22H20F3N3O2S2/c1-2-10-28-20(30)18-15-8-3-4-9-16(15)32-19(18)27-21(28)31-12-17(29)26-14-7-5-6-13(11-14)22(23,24)25/h2,5-7,11H,1,3-4,8-10,12H2,(H,26,29)

InChI Key

GHCGXJKZMATSSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.79

Polar Surface Area

48.993

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 2650-6800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2650-6800?
Check Price and Availability of 2650-6800, 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 2650-6800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2650-6800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2650-6800
  • 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 2650-6800 available by request