C301-7718 Screening compound: ethyl 4-({[1,3-diethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate

C301-7718 Screening compound: ethyl 4-({[1,3-diethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate
C301-7718 Screening compound: ethyl 4-({[1,3-diethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7718
ethyl 4-({[1,3-diethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate

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

C301-7718

Molecular Formula

C26H33N5O4 (C26 H33 N5 O4)

Compound Name

ethyl 4-({[1,3-diethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate

IUPAC name

ethyl 4-({[13-diethyl-2-oxo-6-(piperidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]carbamoyl}amino)benzoate

SMILES

CCN(c(cc(c(N1CCCCC1)c1)NC(Nc(cc2)ccc2C(OCC)=O)=O)c1N1CC)C1=O

InChI

InChI=1S/C26H33N5O4/c1-4-30-22-16-20(28-25(33)27-19-12-10-18(11-13-19)24(32)35-6-3)21(29-14-8-7-9-15-29)17-23(22)31(5-2)26(30)34/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,27,28,33)

InChI Key

STCBAYQPVGPEJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.959

Distribution Coefficient, logD

5.933

Water Solubility, LogSw

-5.38

Polar Surface Area

73.352

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C301-7718 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-7718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7718?
Check Price and Availability of C301-7718, 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 C301-7718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7718
  • 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 C301-7718 available by request