8014-1348 Screening compound: 2,5-dichlorophenyl N-{[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]carbonyl}sulfamate

8014-1348 Screening compound: 2,5-dichlorophenyl N-{[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]carbonyl}sulfamate
8014-1348 Screening compound: 2,5-dichlorophenyl N-{[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]carbonyl}sulfamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1348
2,5-dichlorophenyl N-{[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]carbonyl}sulfamate

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

8014-1348

Molecular Formula

C18H15Cl2N5O5S (C18 H15 Cl2 N5 O5 S)

Compound Name

2,5-dichlorophenyl N-{[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]carbonyl}sulfamate

IUPAC name

1-[(25-dichlorophenoxy)sulfonyl]-3-(4-ethoxy-6-phenyl-135-triazin-2-yl)urea

SMILES

CCOc1nc(-c2ccccc2)nc(NC(NS(Oc(cc(cc2)Cl)c2Cl)(=O)=O)=O)n1

InChI

InChI=1S/C18H15Cl2N5O5S/c1-2-29-18-22-15(11-6-4-3-5-7-11)21-16(24-18)23-17(26)25-31(27,28)30-14-10-12(19)8-9-13(14)20/h3-10H,2H2,1H3,(H2,21,22,23,24,25,26)

InChI Key

UDCZBZGFXSLJRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-5.91

Polar Surface Area

108.328

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8014-1348 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1348?
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What is the minimum amount of 8014-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1348
  • 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 8014-1348 available by request