C267-0171 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide

C267-0171 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide
C267-0171 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C267-0171
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide

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

C267-0171

Molecular Formula

C26H32N6O2S (C26 H32 N6 O2 S)

Compound Name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(N(CC3)CCN3C(c3ccco3)=O)=S)c2n1

InChI

InChI=1S/C26H32N6O2S/c1-3-29-8-10-30(11-9-29)24-17-19(2)21-18-20(6-7-22(21)28-24)27-26(35)32-14-12-31(13-15-32)25(33)23-5-4-16-34-23/h4-7,16-18H,3,8-15H2,1-2H3,(H,27,35)

InChI Key

XJSHWHAMFGJYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.87

Polar Surface Area

50.955

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C267-0171 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C267-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C267-0171?
Check Price and Availability of C267-0171, 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 C267-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C267-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C267-0171
  • 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 C267-0171 available by request