T599-3419 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one

T599-3419 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
T599-3419 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3419
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one

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

T599-3419

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-(5-methyl-2345-tetrahydro-1H-15-benzodiazepin-1-yl)ethan-1-one

SMILES

Cc1noc(C)c1CC(N1c(cccc2)c2N(C)CCC1)=O

InChI

InChI=1S/C17H21N3O2/c1-12-14(13(2)22-18-12)11-17(21)20-10-6-9-19(3)15-7-4-5-8-16(15)20/h4-5,7-8H,6,9-11H2,1-3H3

InChI Key

BSIRDWLSVZMJFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.28

Polar Surface Area

40.022

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

T599-3419 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with T599-3419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3419?
Check Price and Availability of T599-3419, 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 T599-3419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3419
  • 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 T599-3419 available by request