4678-0506 Screening compound: N-methyl-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4678-0506 Screening compound: N-methyl-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4678-0506 Screening compound: N-methyl-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0506
N-methyl-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

4678-0506

Molecular Formula

C23H23N3O3S2 (C23 H23 N3 O3 S2)

Compound Name

N-methyl-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-methyl-2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CNC(c1c(NC(C(c2cccs2)=O)NC(c2ccccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H23N3O3S2/c1-24-22(29)18-15-10-5-6-11-16(15)31-23(18)26-20(19(27)17-12-7-13-30-17)25-21(28)14-8-3-2-4-9-14/h2-4,7-9,12-13,20,26H,5-6,10-11H2,1H3,(H,24,29)(H,25,28)/t20-/m0/s1

InChI Key

KMWBKDNIJSLTRD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04447021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.97

Polar Surface Area

72.485

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

4678-0506 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4678-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0506?
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What is the minimum amount of 4678-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0506
  • 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 4678-0506 available by request