T599-3544 Screening compound: 1-methyl-5-(4-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T599-3544 Screening compound: 1-methyl-5-(4-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T599-3544 Screening compound: 1-methyl-5-(4-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3544
1-methyl-5-(4-methylbenzoyl)-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

T599-3544

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

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

IUPAC name

1-methyl-5-(4-methylbenzoyl)-2345-tetrahydro-1H-15-benzodiazepine

SMILES

Cc(cc1)ccc1C(N1c(cccc2)c2N(C)CCC1)=O

InChI

InChI=1S/C18H20N2O/c1-14-8-10-15(11-9-14)18(21)20-13-5-12-19(2)16-6-3-4-7-17(16)20/h3-4,6-11H,5,12-13H2,1-2H3

InChI Key

KQQCKFXPPGAULP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.33

Polar Surface Area

18.511

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

T599-3544 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with T599-3544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3544?
Check Price and Availability of T599-3544, 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 T599-3544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3544
  • 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 T599-3544 available by request