T599-0105 Screening compound: 2-methoxy-1-[5-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-1-ethanone

T599-0105 Screening compound: 2-methoxy-1-[5-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-1-ethanone
T599-0105 Screening compound: 2-methoxy-1-[5-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-0105
2-methoxy-1-[5-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-1-ethanone

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

T599-0105

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

2-methoxy-1-[5-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-1-ethanone

IUPAC name

n/a

SMILES

COCC(N1c(cccc2)c2N(Cc2cnccc2)CCC1)=O

InChI

InChI=1S/C18H21N3O2/c1-23-14-18(22)21-11-5-10-20(13-15-6-4-9-19-12-15)16-7-2-3-8-17(16)21/h2-4,6-9,12H,5,10-11,13-14H2,1H3

InChI Key

HQIFDPJDZMTMNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-1.03

Polar Surface Area

36.210

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

T599-0105 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-0105?
Check Price and Availability of T599-0105, 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 T599-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-0105
  • 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 T599-0105 available by request