K813-0027 Screening compound: ethyl 2-(3,4-dimethoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

K813-0027 Screening compound: ethyl 2-(3,4-dimethoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
K813-0027 Screening compound: ethyl 2-(3,4-dimethoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0027
ethyl 2-(3,4-dimethoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-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

K813-0027

Molecular Formula

C23H28N2O6S (C23 H28 N2 O6 S)

Compound Name

ethyl 2-(3,4-dimethoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

IUPAC name

ethyl 2-(34-dimethoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc(OC)c2OC)=O)sc(C(N2CCCCC2)=O)c1C)=O

InChI

InChI=1S/C23H28N2O6S/c1-5-31-23(28)18-14(2)19(22(27)25-11-7-6-8-12-25)32-21(18)24-20(26)15-9-10-16(29-3)17(13-15)30-4/h9-10,13H,5-8,11-12H2,1-4H3,(H,24,26)

InChI Key

XTBOIVRZFDBKFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

1.124

Water Solubility, LogSw

-3.56

Polar Surface Area

75.787

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

K813-0027 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 K813-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0027?
Check Price and Availability of K813-0027, 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 K813-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0027
  • 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 K813-0027 available by request