C714-0156 Screening compound: 2,4-diethyl 3-methyl-5-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamido]thiophene-2,4-dicarboxylate

C714-0156 Screening compound: 2,4-diethyl 3-methyl-5-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamido]thiophene-2,4-dicarboxylate
C714-0156 Screening compound: 2,4-diethyl 3-methyl-5-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0156
2,4-diethyl 3-methyl-5-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamido]thiophene-2,4-dicarboxylate

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

C714-0156

Molecular Formula

C23H26N2O6S2 (C23 H26 N2 O6 S2)

Compound Name

2,4-diethyl 3-methyl-5-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamido]thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-[2-(2-methyl-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamido]thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CN(c(cccc2)c2SC(C)C2)C2=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C23H26N2O6S2/c1-5-30-22(28)19-14(4)20(23(29)31-6-2)33-21(19)24-17(26)12-25-15-9-7-8-10-16(15)32-13(3)11-18(25)27/h7-10,13H,5-6,11-12H2,1-4H3,(H,24,26)/t13-/m0/s1

InChI Key

DZZILANEFZIKQT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05893532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-4.14

Polar Surface Area

80.401

Acid Dissociation Constant (pKa)

5.24

Base Dissociation Constant (pKb)

-6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C714-0156 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C714-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0156?
Check Price and Availability of C714-0156, 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 C714-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0156
  • 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 C714-0156 available by request