T599-0595 Screening compound: 1-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-2-yl)ethan-1-one

T599-0595 Screening compound: 1-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-2-yl)ethan-1-one
T599-0595 Screening compound: 1-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-0595
1-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-2-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

T599-0595

Molecular Formula

C23H24N2OS (C23 H24 N2 OS)

Compound Name

1-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-[5-(2-phenylethyl)-2345-tetrahydro-1H-15-benzodiazepin-1-yl]-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N1c(cccc2)c2N(CCc2ccccc2)CCC1

InChI

InChI=1S/C23H24N2OS/c26-23(18-20-10-6-17-27-20)25-15-7-14-24(21-11-4-5-12-22(21)25)16-13-19-8-2-1-3-9-19/h1-6,8-12,17H,7,13-16,18H2

InChI Key

UJTKANHTTXDBLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.64

Polar Surface Area

18.994

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

T599-0595 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-0595?
Check Price and Availability of T599-0595, 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 T599-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-0595
  • 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 T599-0595 available by request