T599-3738 Screening compound: [5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](1H-PYRAZOL-3-YL)METHANONE

T599-3738 Screening compound: [5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](1H-PYRAZOL-3-YL)METHANONE
T599-3738 Screening compound: [5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](1H-PYRAZOL-3-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3738
[5-(CYCLOPROPYLCARBONYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL](1H-PYRAZOL-3-YL)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

T599-3738

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

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

IUPAC name

1-cyclopropanecarbonyl-5-(1H-pyrazole-3-carbonyl)-2345-tetrahydro-1H-15-benzodiazepine

SMILES

O=C(C1CC1)N(CCC1)c(cccc2)c2N1C(c1n[nH]cc1)=O

InChI

InChI=1S/C17H18N4O2/c22-16(12-6-7-12)20-10-3-11-21(15-5-2-1-4-14(15)20)17(23)13-8-9-18-19-13/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,18,19)

InChI Key

MELFDYZFUSRIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.31

Polar Surface Area

55.399

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

T599-3738 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS MPO Library (28609 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3738?
Check Price and Availability of T599-3738, 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 T599-3738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3738
  • 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 T599-3738 available by request