8012-7126 Screening compound: ethyl 3-(2-chloroacetamido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

8012-7126 Screening compound: ethyl 3-(2-chloroacetamido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
8012-7126 Screening compound: ethyl 3-(2-chloroacetamido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7126
ethyl 3-(2-chloroacetamido)-4-(methoxymethyl)-6-methylthieno[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

8012-7126

Molecular Formula

C15H17ClN2O4S (C15 H17 ClN2 O4 S)

Compound Name

ethyl 3-(2-chloroacetamido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

IUPAC name

ethyl 3-(2-chloroacetamido)-4-(methoxymethyl)-6-methylthieno[23-b]pyridine-2-carboxylate

SMILES

CCOC(c(sc1nc(C)cc(COC)c11)c1NC(CCl)=O)=O

InChI

InChI=1S/C15H17ClN2O4S/c1-4-22-15(20)13-12(18-10(19)6-16)11-9(7-21-3)5-8(2)17-14(11)23-13/h5H,4,6-7H2,1-3H3,(H,18,19)

InChI Key

YRJCPIKXHDDRIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-2.73

Polar Surface Area

60.697

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8012-7126 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7126?
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What is the minimum amount of 8012-7126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7126
  • 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 8012-7126 available by request