T599-3701 Screening compound: 1-(5-cyclopropanecarbonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-(thiophen-2-yl)ethan-1-one

T599-3701 Screening compound: 1-(5-cyclopropanecarbonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-(thiophen-2-yl)ethan-1-one
T599-3701 Screening compound: 1-(5-cyclopropanecarbonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3701
1-(5-cyclopropanecarbonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-(thiophen-2-yl)ethan-1-one

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

T599-3701

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

1-(5-cyclopropanecarbonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-(5-cyclopropanecarbonyl-2345-tetrahydro-1H-15-benzodiazepin-1-yl)-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CCC1)c(cccc2)c2N1C(C1CC1)=O

InChI

InChI=1S/C19H20N2O2S/c22-18(13-15-5-3-12-24-15)20-10-4-11-21(19(23)14-8-9-14)17-7-2-1-6-16(17)20/h1-3,5-7,12,14H,4,8-11,13H2

InChI Key

MRVMJKHHZYDCFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.35

Polar Surface Area

32.289

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

T599-3701 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3701?
Check Price and Availability of T599-3701, 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 T599-3701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3701
  • 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 T599-3701 available by request