7489-2111 Screening compound: N-[4-(morpholine-4-sulfonyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

7489-2111 Screening compound: N-[4-(morpholine-4-sulfonyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
7489-2111 Screening compound: N-[4-(morpholine-4-sulfonyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7489-2111
N-[4-(morpholine-4-sulfonyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

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

7489-2111

Molecular Formula

C20H21N3O5S2 (C20 H21 N3 O5 S2)

Compound Name

N-[4-(morpholine-4-sulfonyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

IUPAC name

N-[4-(morpholine-4-sulfonyl)phenyl]-3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamide

SMILES

O=C(CCN(c(cccc1)c1S1)C1=O)Nc(cc1)ccc1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C20H21N3O5S2/c24-19(9-10-23-17-3-1-2-4-18(17)29-20(23)25)21-15-5-7-16(8-6-15)30(26,27)22-11-13-28-14-12-22/h1-8H,9-14H2,(H,21,24)

InChI Key

OVWSGCYUSFHAOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06761011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-2.81

Polar Surface Area

78.559

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

7489-2111 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 7489-2111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-2111?
Check Price and Availability of 7489-2111, 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 7489-2111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-2111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-2111
  • 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 7489-2111 available by request