T599-3658 Screening compound: (1-ethyl-1H-pyrazol-3-yl)[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone

T599-3658 Screening compound: (1-ethyl-1H-pyrazol-3-yl)[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone
T599-3658 Screening compound: (1-ethyl-1H-pyrazol-3-yl)[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3658
(1-ethyl-1H-pyrazol-3-yl)[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-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

T599-3658

Molecular Formula

C16H20N4O3S (C16 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1)nc1C(N(CCC1)c(cccc2)c2N1S(C)(=O)=O)=O

InChI

InChI=1S/C16H20N4O3S/c1-3-18-12-9-13(17-18)16(21)19-10-6-11-20(24(2,22)23)15-8-5-4-7-14(15)19/h4-5,7-9,12H,3,6,10-11H2,1-2H3

InChI Key

WVNDYYIKFYQTAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002332

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

348.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.947

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-2.01

Polar Surface Area

61.263

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

T599-3658 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)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3658?
Check Price and Availability of T599-3658, 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 T599-3658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3658
  • 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 T599-3658 available by request