T599-3858 Screening compound: [5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](2-ETHOXYPHENYL)METHANONE

T599-3858 Screening compound: [5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](2-ETHOXYPHENYL)METHANONE
T599-3858 Screening compound: [5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](2-ETHOXYPHENYL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3858
[5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](2-ETHOXYPHENYL)METHANONE

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

T599-3858

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

[5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](2-ETHOXYPHENYL)METHANONE

IUPAC name

n/a

SMILES

CCOc(cccc1)c1C(N(CCC1)c(cccc2)c2N1C(C1CC1)=O)=O

InChI

InChI=1S/C22H24N2O3/c1-2-27-20-11-6-3-8-17(20)22(26)24-15-7-14-23(21(25)16-12-13-16)18-9-4-5-10-19(18)24/h3-6,8-11,16H,2,7,12-15H2,1H3

InChI Key

GLXBIAPRMQPEOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-3.86

Polar Surface Area

39.008

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

T599-3858 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3858?
Check Price and Availability of T599-3858, 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 T599-3858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3858
  • 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 T599-3858 available by request