4258-0054 Screening compound: ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

4258-0054 Screening compound: ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
4258-0054 Screening compound: ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4258-0054
ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-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

4258-0054

Molecular Formula

C16H18N2O4S (C16 H18 N2 O4 S)

Compound Name

ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

IUPAC name

ethyl 3-(N-acetylacetamido)-46-dimethylthieno[23-b]pyridine-2-carboxylate

SMILES

CCOC(c(sc1nc(C)cc(C)c11)c1N(C(C)=O)C(C)=O)=O

InChI

InChI=1S/C16H18N2O4S/c1-6-22-16(21)14-13(18(10(4)19)11(5)20)12-8(2)7-9(3)17-15(12)23-14/h7H,6H2,1-5H3

InChI Key

PNIUZDCLLFELHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02856383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.035

Distribution Coefficient, logD

2.035

Water Solubility, LogSw

-2.23

Polar Surface Area

59.463

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4258-0054 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4258-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4258-0054?
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What is the minimum amount of 4258-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4258-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4258-0054
  • 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 4258-0054 available by request