T599-3511 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T599-3511 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T599-3511 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3511
1-(3-chloro-4-methoxybenzenesulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

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

T599-3511

Molecular Formula

C17H19ClN2O3S (C17 H19 ClN2 O3 S)

Compound Name

1-(3-chloro-4-methoxybenzenesulfonyl)-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

IUPAC name

1-(3-chloro-4-methoxybenzenesulfonyl)-5-methyl-2345-tetrahydro-1H-15-benzodiazepine

SMILES

CN(CCC1)c(cccc2)c2N1S(c(cc1)cc(Cl)c1OC)(=O)=O

InChI

InChI=1S/C17H19ClN2O3S/c1-19-10-5-11-20(16-7-4-3-6-15(16)19)24(21,22)13-8-9-17(23-2)14(18)12-13/h3-4,6-9,12H,5,10-11H2,1-2H3

InChI Key

ADBPRPSVIFCOBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.31

Polar Surface Area

41.981

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

T599-3511 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3511?
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What is the minimum amount of T599-3511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3511
  • 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 T599-3511 available by request