Y508-6996 Screening compound: methyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Y508-6996 Screening compound: methyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Y508-6996 Screening compound: methyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-6996
methyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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

Y508-6996

Molecular Formula

C21H21F4NO4S (C21 H21 F4 NO4 S)

Compound Name

methyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

IUPAC name

n/a

SMILES

COC(c1c(NC(c2cc(OC(C(F)F)(F)F)ccc2)=O)sc2c1CCCCCC2)=O

InChI

InChI=1S/C21H21F4NO4S/c1-29-19(28)16-14-9-4-2-3-5-10-15(14)31-18(16)26-17(27)12-7-6-8-13(11-12)30-21(24,25)20(22)23/h6-8,11,20H,2-5,9-10H2,1H3,(H,26,27)

InChI Key

QFWSZYSZPRKMMI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

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

5.568

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-5.44

Polar Surface Area

50.571

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with Y508-6996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-6996?
Check Price and Availability of Y508-6996, 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 Y508-6996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-6996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-6996
  • 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 Y508-6996 available by request