C167-0087 Screening compound: 2-(5-chlorothiophen-2-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}quinoline-4-carboxamide

C167-0087 Screening compound: 2-(5-chlorothiophen-2-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}quinoline-4-carboxamide
C167-0087 Screening compound: 2-(5-chlorothiophen-2-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0087
2-(5-chlorothiophen-2-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}quinoline-4-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

C167-0087

Molecular Formula

C27H27ClN4O2S (C27 H27 ClN4 O2 S)

Compound Name

2-(5-chlorothiophen-2-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}quinoline-4-carboxamide

IUPAC name

2-(5-chlorothiophen-2-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}quinoline-4-carboxamide

SMILES

COc(cc1)ccc1N1CCN(CCNC(c2cc(-c(s3)ccc3Cl)nc3ccccc23)=O)CC1

InChI

InChI=1S/C27H27ClN4O2S/c1-34-20-8-6-19(7-9-20)32-16-14-31(15-17-32)13-12-29-27(33)22-18-24(25-10-11-26(28)35-25)30-23-5-3-2-4-21(22)23/h2-11,18H,12-17H2,1H3,(H,29,33)

InChI Key

CDKNRQUEKXOSPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.797

Distribution Coefficient, logD

5.773

Water Solubility, LogSw

-5.95

Polar Surface Area

48.357

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C167-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0087?
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What is the minimum amount of C167-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0087
  • 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 C167-0087 available by request