F561-0033 Screening compound: N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXAMIDE

F561-0033 Screening compound: N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXAMIDE
F561-0033 Screening compound: N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F561-0033
N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXAMIDE

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

F561-0033

Molecular Formula

C21H28N2O5S2 (C21 H28 N2 O5 S2)

Compound Name

N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(CC1)CCN1S(c1ccc(C(NCCc(cc2)cc(OC)c2OC)=O)s1)(=O)=O

InChI

InChI=1S/C21H28N2O5S2/c1-15-9-12-23(13-10-15)30(25,26)20-7-6-19(29-20)21(24)22-11-8-16-4-5-17(27-2)18(14-16)28-3/h4-7,14-15H,8-13H2,1-3H3,(H,22,24)

InChI Key

NKYWNQMSJZVYSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27176300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-3.50

Polar Surface Area

72.483

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F561-0033 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 F561-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F561-0033?
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What is the minimum amount of F561-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F561-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F561-0033
  • 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 F561-0033 available by request