Y503-0443 Screening compound: isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y503-0443 Screening compound: isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y503-0443 Screening compound: isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-0443
isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-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

Y503-0443

Molecular Formula

C21H23NO5S (C21 H23 NO5 S)

Compound Name

isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-(2H-13-benzodioxole-5-amido)-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c(cc2)cc3c2OCO3)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C21H23NO5S/c1-11(2)27-21(24)18-14-6-4-12(3)8-17(14)28-20(18)22-19(23)13-5-7-15-16(9-13)26-10-25-15/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,22,23)/t12-/m1/s1

InChI Key

CDVIOIUEUDWKNW-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-4.84

Polar Surface Area

60.593

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-7.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with Y503-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-0443?
Check Price and Availability of Y503-0443, 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 Y503-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-0443
  • 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 Y503-0443 available by request