6040-3550 Screening compound: ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate

6040-3550 Screening compound: ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
6040-3550 Screening compound: ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-3550
ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-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

6040-3550

Molecular Formula

C17H18ClNO3S (C17 H18 ClNO3 S)

Compound Name

ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c(sc1c2cccc1)c2Cl)=O)=O

InChI

InChI=1S/C17H18ClNO3S/c1-2-22-17(21)11-6-5-9-19(10-11)16(20)15-14(18)12-7-3-4-8-13(12)23-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m0/s1

InChI Key

APVBLAFNHZQPOD-NSHDSACASA-N

MDL Number (MFCD)

MFCD01474751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.38

Polar Surface Area

38.321

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

6040-3550 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6040-3550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-3550?
Check Price and Availability of 6040-3550, 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 6040-3550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-3550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-3550
  • 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 6040-3550 available by request