K781-3407 Screening compound: N-(2,2-dimethoxyethyl)-2-fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

K781-3407 Screening compound: N-(2,2-dimethoxyethyl)-2-fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzamide
K781-3407 Screening compound: N-(2,2-dimethoxyethyl)-2-fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3407
N-(2,2-dimethoxyethyl)-2-fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

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

K781-3407

Molecular Formula

C17H25FN2O5S (C17 H25 FN2 O5 S)

Compound Name

N-(2,2-dimethoxyethyl)-2-fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

IUPAC name

N-(22-dimethoxyethyl)-2-fluoro-5-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(C(NCC(OC)OC)=O)c1F)(=O)=O

InChI

InChI=1S/C17H25FN2O5S/c1-12-6-8-20(9-7-12)26(22,23)13-4-5-15(18)14(10-13)17(21)19-11-16(24-2)25-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,19,21)

InChI Key

FGZHGHALXVNCPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-2.95

Polar Surface Area

72.129

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

K781-3407 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-3407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3407?
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What is the minimum amount of K781-3407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3407
  • 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 K781-3407 available by request