0917-0077 Screening compound: ethyl 4-[4-chloro-3-(morpholine-4-sulfonyl)benzamido]benzoate

0917-0077 Screening compound: ethyl 4-[4-chloro-3-(morpholine-4-sulfonyl)benzamido]benzoate
0917-0077 Screening compound: ethyl 4-[4-chloro-3-(morpholine-4-sulfonyl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0077
ethyl 4-[4-chloro-3-(morpholine-4-sulfonyl)benzamido]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

0917-0077

Molecular Formula

C20H21ClN2O6S (C20 H21 ClN2 O6 S)

Compound Name

ethyl 4-[4-chloro-3-(morpholine-4-sulfonyl)benzamido]benzoate

IUPAC name

ethyl 4-[4-chloro-3-(morpholine-4-sulfonyl)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C20H21ClN2O6S/c1-2-29-20(25)14-3-6-16(7-4-14)22-19(24)15-5-8-17(21)18(13-15)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24)

InChI Key

CXMFMOFDVKZKCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

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

3.186

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.72

Polar Surface Area

83.703

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0917-0077 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0917-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0077?
Check Price and Availability of 0917-0077, 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 0917-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0077
  • 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 0917-0077 available by request