V017-5576 Screening compound: ethyl 6-(6-chloropyridin-3-yl)-2-propanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

V017-5576 Screening compound: ethyl 6-(6-chloropyridin-3-yl)-2-propanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
V017-5576 Screening compound: ethyl 6-(6-chloropyridin-3-yl)-2-propanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5576
ethyl 6-(6-chloropyridin-3-yl)-2-propanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-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

V017-5576

Molecular Formula

C18H20ClN3O3S (C18 H20 ClN3 O3 S)

Compound Name

ethyl 6-(6-chloropyridin-3-yl)-2-propanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

IUPAC name

ethyl 6-(6-chloropyridin-3-yl)-2-propanamido-4H5H6H7H-thieno[23-c]pyridine-3-carboxylate

SMILES

CCC(Nc1c(C(OCC)=O)c(CCN(C2)c(cc3)cnc3Cl)c2s1)=O

InChI

InChI=1S/C18H20ClN3O3S/c1-3-15(23)21-17-16(18(24)25-4-2)12-7-8-22(10-13(12)26-17)11-5-6-14(19)20-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,21,23)

InChI Key

MJZRZUSYCODSHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

0.686

Water Solubility, LogSw

-3.75

Polar Surface Area

56.055

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

V017-5576 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V017-5576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5576?
Check Price and Availability of V017-5576, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V017-5576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5576
  • 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 V017-5576 available by request