4577-0389 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]acetamide

4577-0389 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]acetamide
4577-0389 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-0389
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]acetamide

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

4577-0389

Molecular Formula

C25H23ClF3N3O6S2 (C25 H23 ClF3 N3 O6 S2)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]acetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]acetamide

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)Nc(cc1)ccc1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C25H23ClF3N3O6S2/c26-22-11-6-18(25(27,28)29)16-23(22)32(40(36,37)20-4-2-1-3-5-20)17-24(33)30-19-7-9-21(10-8-19)39(34,35)31-12-14-38-15-13-31/h1-11,16H,12-15,17H2,(H,30,33)

InChI Key

CFTKCRQLCROZIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05040460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.05

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.49

Polar Surface Area

94.260

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4577-0389 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4577-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-0389?
Check Price and Availability of 4577-0389, 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 4577-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-0389
  • 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 4577-0389 available by request