Y501-8495 Screening compound: ethyl 2-{[4-(difluoromethoxy)benzoyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate

Y501-8495 Screening compound: ethyl 2-{[4-(difluoromethoxy)benzoyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate

Chemical Structure Depiction of ChemDiv screening compound Y501-8495
ethyl 2-{[4-(difluoromethoxy)benzoyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate

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

Y501-8495

Molecular Formula

C22H19F2NO4S (C22 H19 F2 NO4 S)

Compound Name

ethyl 2-{[4-(difluoromethoxy)benzoyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate

IUPAC name

ethyl 2-[4-(difluoromethoxy)benzamido]-5-methyl-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2OC(F)F)=O)sc(C)c1-c1ccccc1)=O

InChI

InChI=1S/C22H19F2NO4S/c1-3-28-21(27)18-17(14-7-5-4-6-8-14)13(2)30-20(18)25-19(26)15-9-11-16(12-10-15)29-22(23)24/h4-12,22H,3H2,1-2H3,(H,25,26)

InChI Key

KIHQZJBVARCHLB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.035

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.79

Polar Surface Area

50.211

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

-9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with Y501-8495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8495?
Check Price and Availability of Y501-8495, 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 Y501-8495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8495
  • 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 Y501-8495 available by request