Y501-9796 Screening compound: isopropyl 2-({[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate

Y501-9796 Screening compound: isopropyl 2-({[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
Y501-9796 Screening compound: isopropyl 2-({[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9796
isopropyl 2-({[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)-4,5-dimethyl-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

Y501-9796

Molecular Formula

C20H18ClF2NO4S2 (C20 H18 ClF2 NO4 S2)

Compound Name

isopropyl 2-({[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate

IUPAC name

propan-2-yl 2-[3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-amido]-45-dimethylthiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c(sc2cccc(OC(F)F)c22)c2Cl)=O)sc(C)c1C)=O

InChI

InChI=1S/C20H18ClF2NO4S2/c1-8(2)27-19(26)13-9(3)10(4)29-18(13)24-17(25)16-15(21)14-11(28-20(22)23)6-5-7-12(14)30-16/h5-8,20H,1-4H3,(H,24,25)

InChI Key

ALAHSMKRUBQTAT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.95

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

6.090

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-6.46

Polar Surface Area

50.995

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with Y501-9796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9796?
Check Price and Availability of Y501-9796, 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 Y501-9796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9796
  • 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 Y501-9796 available by request