C301-6494 Screening compound: ethyl 1-[1,3-dimethyl-2-oxo-6-(thiophene-2-amido)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate

C301-6494 Screening compound: ethyl 1-[1,3-dimethyl-2-oxo-6-(thiophene-2-amido)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate
C301-6494 Screening compound: ethyl 1-[1,3-dimethyl-2-oxo-6-(thiophene-2-amido)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6494
ethyl 1-[1,3-dimethyl-2-oxo-6-(thiophene-2-amido)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-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

C301-6494

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

ethyl 1-[1,3-dimethyl-2-oxo-6-(thiophene-2-amido)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[13-dimethyl-2-oxo-6-(thiophene-2-amido)-23-dihydro-1H-13-benzodiazol-5-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(cc(c(N1C)c2)N(C)C1=O)c2NC(c1cccs1)=O)=O

InChI

InChI=1S/C22H26N4O4S/c1-4-30-21(28)14-7-9-26(10-8-14)16-13-18-17(24(2)22(29)25(18)3)12-15(16)23-20(27)19-6-5-11-31-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,27)

InChI Key

AECLRXBOTJDETH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.90

Polar Surface Area

65.240

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C301-6494 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6494?
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What is the minimum amount of C301-6494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6494
  • 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 C301-6494 available by request