3506-0156 Screening compound: 3-[3-(morpholine-4-sulfonyl)benzamido]phenyl thiophene-2-carboxylate

3506-0156 Screening compound: 3-[3-(morpholine-4-sulfonyl)benzamido]phenyl thiophene-2-carboxylate
3506-0156 Screening compound: 3-[3-(morpholine-4-sulfonyl)benzamido]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0156
3-[3-(morpholine-4-sulfonyl)benzamido]phenyl thiophene-2-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

3506-0156

Molecular Formula

C22H20N2O6S2 (C22 H20 N2 O6 S2)

Compound Name

3-[3-(morpholine-4-sulfonyl)benzamido]phenyl thiophene-2-carboxylate

IUPAC name

3-[3-(morpholine-4-sulfonyl)benzamido]phenyl thiophene-2-carboxylate

SMILES

O=C(c1cccs1)Oc1cccc(NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)c1

InChI

InChI=1S/C22H20N2O6S2/c25-21(16-4-1-7-19(14-16)32(27,28)24-9-11-29-12-10-24)23-17-5-2-6-18(15-17)30-22(26)20-8-3-13-31-20/h1-8,13-15H,9-12H2,(H,23,25)

InChI Key

BRDWPAIAWZVOPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.67

Polar Surface Area

84.345

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3506-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3506-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0156?
Check Price and Availability of 3506-0156, 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 3506-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0156
  • 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 3506-0156 available by request