K781-6820 Screening compound: 3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

K781-6820 Screening compound: 3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
K781-6820 Screening compound: 3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6820
3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

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

K781-6820

Molecular Formula

C22H27FN2O4S (C22 H27 FN2 O4 S)

Compound Name

3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

IUPAC name

3-[(35-dimethylpiperidin-1-yl)sulfonyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

SMILES

CCOc(cccc1)c1NC(c(cc1)cc(S(N2CC(C)CC(C)C2)(=O)=O)c1F)=O

InChI

InChI=1S/C22H27FN2O4S/c1-4-29-20-8-6-5-7-19(20)24-22(26)17-9-10-18(23)21(12-17)30(27,28)25-13-15(2)11-16(3)14-25/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,24,26)

InChI Key

QTRMVJXNZUNZSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.33

Polar Surface Area

61.420

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

K781-6820 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 K781-6820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6820?
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What is the minimum amount of K781-6820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6820
  • 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 K781-6820 available by request