3237-0127 Screening compound: ethyl 4,5-dimethyl-2-({1-[3-oxo-1-benzothiophen-2(3H)-yliden]ethyl}amino)-3-thiophenecarboxylate

3237-0127 Screening compound: ethyl 4,5-dimethyl-2-({1-[3-oxo-1-benzothiophen-2(3H)-yliden]ethyl}amino)-3-thiophenecarboxylate
3237-0127 Screening compound: ethyl 4,5-dimethyl-2-({1-[3-oxo-1-benzothiophen-2(3H)-yliden]ethyl}amino)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0127
ethyl 4,5-dimethyl-2-({1-[3-oxo-1-benzothiophen-2(3H)-yliden]ethyl}amino)-3-thiophenecarboxylate

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

3237-0127

Molecular Formula

C19H19NO3S2 (C19 H19 NO3 S2)

Compound Name

ethyl 4,5-dimethyl-2-({1-[3-oxo-1-benzothiophen-2(3H)-yliden]ethyl}amino)-3-thiophenecarboxylate

IUPAC name

ethyl 45-dimethyl-2-({1-[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]ethyl}amino)thiophene-3-carboxylate

SMILES

CCOC(c1c(N/C(/C)=C2\Sc(cccc3)c3C2=O)sc(C)c1C)=O

InChI

InChI=1S/C19H19NO3S2/c1-5-23-19(22)15-10(2)12(4)24-18(15)20-11(3)17-16(21)13-8-6-7-9-14(13)25-17/h6-9,20H,5H2,1-4H3

InChI Key

IBKYDFAOSKEYJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-4.54

Polar Surface Area

44.169

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

3237-0127 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3237-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0127?
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What is the minimum amount of 3237-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0127
  • 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 3237-0127 available by request