8011-6745 Screening compound: 2-oxo-2-(2-thienyl)ethyl 4-bromo-3-(morpholinosulfonyl)benzoate

8011-6745 Screening compound: 2-oxo-2-(2-thienyl)ethyl 4-bromo-3-(morpholinosulfonyl)benzoate
8011-6745 Screening compound: 2-oxo-2-(2-thienyl)ethyl 4-bromo-3-(morpholinosulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6745
2-oxo-2-(2-thienyl)ethyl 4-bromo-3-(morpholinosulfonyl)benzoate

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

8011-6745

Molecular Formula

C17H16BrNO6S2 (C17 H16 BrNO6 S2)

Compound Name

2-oxo-2-(2-thienyl)ethyl 4-bromo-3-(morpholinosulfonyl)benzoate

IUPAC name

2-oxo-2-(thiophen-2-yl)ethyl 4-bromo-3-(morpholine-4-sulfonyl)benzoate

SMILES

O=C(COC(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1Br)=O)c1cccs1

InChI

InChI=1S/C17H16BrNO6S2/c18-13-4-3-12(17(21)25-11-14(20)15-2-1-9-26-15)10-16(13)27(22,23)19-5-7-24-8-6-19/h1-4,9-10H,5-8,11H2

InChI Key

HSJZEAYQPWJVNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.43

Polar Surface Area

74.981

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

-7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

8011-6745 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-6745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6745?
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What is the minimum amount of 8011-6745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6745
  • 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 8011-6745 available by request