T599-3808 Screening compound: [5-(cyclopropylcarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone

T599-3808 Screening compound: [5-(cyclopropylcarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone
T599-3808 Screening compound: [5-(cyclopropylcarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3808
[5-(cyclopropylcarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl](1,5-dimethyl-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

T599-3808

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

[5-(cyclopropylcarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone

IUPAC name

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

SMILES

Cc1cc(C(N(CCC2)c(cccc3)c3N2C(C2CC2)=O)=O)nn1C

InChI

InChI=1S/C19H22N4O2/c1-13-12-15(20-21(13)2)19(25)23-11-5-10-22(18(24)14-8-9-14)16-6-3-4-7-17(16)23/h3-4,6-7,12,14H,5,8-11H2,1-2H3

InChI Key

WBHDIKPPQOVKFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.25

Polar Surface Area

46.284

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.11

T599-3808 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3808?
Check Price and Availability of T599-3808, 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 T599-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3808
  • 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 T599-3808 available by request