4567-0694 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

4567-0694 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide
4567-0694 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-0694
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]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

4567-0694

Molecular Formula

C20H20ClF3N2O4S (C20 H20 ClF3 N2 O4 S)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)NCC1OCCC1

InChI

InChI=1S/C20H20ClF3N2O4S/c21-17-9-8-14(20(22,23)24)11-18(17)26(31(28,29)16-6-2-1-3-7-16)13-19(27)25-12-15-5-4-10-30-15/h1-3,6-9,11,15H,4-5,10,12-13H2,(H,25,27)/t15-/m1/s1

InChI Key

ZNTIOWFDJSSXKI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03141036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.64

Polar Surface Area

64.617

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

4567-0694 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 4567-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-0694?
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What is the minimum amount of 4567-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-0694
  • 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 4567-0694 available by request