1309-0996 Screening compound: 4-methoxy-N-{2,2,2-trichloro-1-[(4-sulfamoylphenyl)amino]ethyl}benzamide

1309-0996 Screening compound: 4-methoxy-N-{2,2,2-trichloro-1-[(4-sulfamoylphenyl)amino]ethyl}benzamide
1309-0996 Screening compound: 4-methoxy-N-{2,2,2-trichloro-1-[(4-sulfamoylphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0996
4-methoxy-N-{2,2,2-trichloro-1-[(4-sulfamoylphenyl)amino]ethyl}benzamide

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

1309-0996

Molecular Formula

C16H16Cl3N3O4S (C16 H16 Cl3 N3 O4 S)

Compound Name

4-methoxy-N-{2,2,2-trichloro-1-[(4-sulfamoylphenyl)amino]ethyl}benzamide

IUPAC name

4-methoxy-N-{222-trichloro-1-[(4-sulfamoylphenyl)amino]ethyl}benzamide

SMILES

COc(cc1)ccc1C(NC(C(Cl)(Cl)Cl)Nc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C16H16Cl3N3O4S/c1-26-12-6-2-10(3-7-12)14(23)22-15(16(17,18)19)21-11-4-8-13(9-5-11)27(20,24)25/h2-9,15,21H,1H3,(H,22,23)(H2,20,24,25)/t15-/m1/s1

InChI Key

UBPSXSDVKNUIIB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00790439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.399

Water Solubility, LogSw

-3.32

Polar Surface Area

91.597

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1309-0996 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0996?
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What is the minimum amount of 1309-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0996
  • 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 1309-0996 available by request