C609-0159 Screening compound: N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]thiophene-2-carboxamide

C609-0159 Screening compound: N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]thiophene-2-carboxamide
C609-0159 Screening compound: N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0159
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]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

C609-0159

Molecular Formula

C18H25N3OS2 (C18 H25 N3 OS2)

Compound Name

N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]thiophene-2-carboxamide

IUPAC name

N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]thiophene-2-carboxamide

SMILES

CCN(CC1)CCN1C(C(C)NC(c1cccs1)=O)c1cccs1

InChI

InChI=1S/C18H25N3OS2/c1-3-20-8-10-21(11-9-20)17(15-6-4-12-23-15)14(2)19-18(22)16-7-5-13-24-16/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,19,22)

InChI Key

ABFUZOHJDLTPTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-2.99

Polar Surface Area

32.413

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C609-0159 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 C609-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0159?
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What is the minimum amount of C609-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0159
  • 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 C609-0159 available by request