3019-0453 Screening compound: 4-[4-(morpholine-4-sulfonyl)thiophene-2-amido]benzoic acid

3019-0453 Screening compound: 4-[4-(morpholine-4-sulfonyl)thiophene-2-amido]benzoic acid
3019-0453 Screening compound: 4-[4-(morpholine-4-sulfonyl)thiophene-2-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0453
4-[4-(morpholine-4-sulfonyl)thiophene-2-amido]benzoic acid

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

3019-0453

Molecular Formula

C16H16N2O6S2 (C16 H16 N2 O6 S2)

Compound Name

4-[4-(morpholine-4-sulfonyl)thiophene-2-amido]benzoic acid

IUPAC name

4-[4-(morpholine-4-sulfonyl)thiophene-2-amido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(c1cc(S(N2CCOCC2)(=O)=O)cs1)=O)=O

InChI

InChI=1S/C16H16N2O6S2/c19-15(17-12-3-1-11(2-4-12)16(20)21)14-9-13(10-25-14)26(22,23)18-5-7-24-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)(H,20,21)

InChI Key

SWYDUGDQHXXFDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

-0.362

Water Solubility, LogSw

-2.78

Polar Surface Area

92.376

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3019-0453 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3019-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0453?
Check Price and Availability of 3019-0453, 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 3019-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0453
  • 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 3019-0453 available by request