E138-0063 Screening compound: ethyl 4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)sulfonyl]piperazine-1-carboxylate

E138-0063 Screening compound: ethyl 4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)sulfonyl]piperazine-1-carboxylate
E138-0063 Screening compound: ethyl 4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-0063
ethyl 4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)sulfonyl]piperazine-1-carboxylate

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

E138-0063

Molecular Formula

C18H24N4O6S (C18 H24 N4 O6 S)

Compound Name

ethyl 4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(15-dimethyl-24-dioxo-2345-tetrahydro-1H-15-benzodiazepin-7-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c(cc1)cc(N(C)C(C2)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C18H24N4O6S/c1-4-28-18(25)21-7-9-22(10-8-21)29(26,27)13-5-6-14-15(11-13)20(3)17(24)12-16(23)19(14)2/h5-6,11H,4,7-10,12H2,1-3H3

InChI Key

JLXOCAILKFKVQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.445

Distribution Coefficient, logD

0.445

Water Solubility, LogSw

-2.31

Polar Surface Area

85.975

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E138-0063 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E138-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-0063?
Check Price and Availability of E138-0063, 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 E138-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-0063
  • 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 E138-0063 available by request