Y501-8522 Screening compound: ethyl 2-{[4-(difluoromethoxy)-3-methoxybenzoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y501-8522 Screening compound: ethyl 2-{[4-(difluoromethoxy)-3-methoxybenzoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of ChemDiv screening compound Y501-8522
ethyl 2-{[4-(difluoromethoxy)-3-methoxybenzoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-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

Y501-8522

Molecular Formula

C22H25F2NO5S (C22 H25 F2 NO5 S)

Compound Name

ethyl 2-{[4-(difluoromethoxy)-3-methoxybenzoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[4-(difluoromethoxy)-3-methoxybenzamido]-6-ethyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(CC1)Cc2c1c(C(OCC)=O)c(NC(c(cc1)cc(OC)c1OC(F)F)=O)s2

InChI

InChI=1S/C22H25F2NO5S/c1-4-12-6-8-14-17(10-12)31-20(18(14)21(27)29-5-2)25-19(26)13-7-9-15(30-22(23)24)16(11-13)28-3/h7,9,11-12,22H,4-6,8,10H2,1-3H3,(H,25,26)/t12-/m1/s1

InChI Key

APJOTDDMOFPBHS-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-4.86

Polar Surface Area

58.120

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with Y501-8522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8522?
Check Price and Availability of Y501-8522, 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 Y501-8522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8522
  • 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 Y501-8522 available by request