T599-0085 Screening compound: 1-[(PYRIDIN-3-YL)METHYL]-5-(PYRIDINE-4-CARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE

T599-0085 Screening compound: 1-[(PYRIDIN-3-YL)METHYL]-5-(PYRIDINE-4-CARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE
T599-0085 Screening compound: 1-[(PYRIDIN-3-YL)METHYL]-5-(PYRIDINE-4-CARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-0085
1-[(PYRIDIN-3-YL)METHYL]-5-(PYRIDINE-4-CARBONYL)-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

T599-0085

Molecular Formula

C21H20N4O (C21 H20 N4 O)

Compound Name

1-[(PYRIDIN-3-YL)METHYL]-5-(PYRIDINE-4-CARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE

IUPAC name

1-[(pyridin-3-yl)methyl]-5-(pyridine-4-carbonyl)-2345-tetrahydro-1H-15-benzodiazepine

SMILES

O=C(c1ccncc1)N1c(cccc2)c2N(Cc2cnccc2)CCC1

InChI

InChI=1S/C21H20N4O/c26-21(18-8-11-22-12-9-18)25-14-4-13-24(16-17-5-3-10-23-15-17)19-6-1-2-7-20(19)25/h1-3,5-12,15H,4,13-14,16H2

InChI Key

QLGJARJQEAOUPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-1.60

Polar Surface Area

37.471

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T599-0085 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-0085?
Check Price and Availability of T599-0085, 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 T599-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-0085
  • 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 T599-0085 available by request