T599-3158 Screening compound: 1-methyl-5-[2-(trifluoromethoxy)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T599-3158 Screening compound: 1-methyl-5-[2-(trifluoromethoxy)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T599-3158 Screening compound: 1-methyl-5-[2-(trifluoromethoxy)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3158
1-methyl-5-[2-(trifluoromethoxy)benzoyl]-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

T599-3158

Molecular Formula

C18H17F3N2O2 (C18 H17 F3 N2 O2)

Compound Name

1-methyl-5-[2-(trifluoromethoxy)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

IUPAC name

1-methyl-5-[2-(trifluoromethoxy)benzoyl]-2345-tetrahydro-1H-15-benzodiazepine

SMILES

CN(CCC1)c(cccc2)c2N1C(c(cccc1)c1OC(F)(F)F)=O

InChI

InChI=1S/C18H17F3N2O2/c1-22-11-6-12-23(15-9-4-3-8-14(15)22)17(24)13-7-2-5-10-16(13)25-18(19,20)21/h2-5,7-10H,6,11-12H2,1H3

InChI Key

VGRQBJVXULUOQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.30

Polar Surface Area

24.535

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

T599-3158 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with T599-3158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3158?
Check Price and Availability of T599-3158, 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 T599-3158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3158
  • 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 T599-3158 available by request