T610-0269 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T610-0269 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T610-0269 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T610-0269
1-[(2H-1,3-benzodioxol-5-yl)methyl]-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

T610-0269

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-5-methyl-2345-tetrahydro-1H-15-benzodiazepine

SMILES

CN1c(cccc2)c2N(Cc(cc2)cc3c2OCO3)CCC1

InChI

InChI=1S/C18H20N2O2/c1-19-9-4-10-20(16-6-3-2-5-15(16)19)12-14-7-8-17-18(11-14)22-13-21-17/h2-3,5-8,11H,4,9-10,12-13H2,1H3

InChI Key

MCAZBQFXIIVRML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31999580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.22

Polar Surface Area

22.877

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

T610-0269 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T610-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T610-0269?
Check Price and Availability of T610-0269, 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 T610-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T610-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T610-0269
  • 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 T610-0269 available by request