C167-0300 Screening compound: 2-(5-bromothiophen-2-yl)-N-{2-[butyl(methyl)amino]ethyl}quinoline-4-carboxamide

C167-0300 Screening compound: 2-(5-bromothiophen-2-yl)-N-{2-[butyl(methyl)amino]ethyl}quinoline-4-carboxamide
C167-0300 Screening compound: 2-(5-bromothiophen-2-yl)-N-{2-[butyl(methyl)amino]ethyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0300
2-(5-bromothiophen-2-yl)-N-{2-[butyl(methyl)amino]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

C167-0300

Molecular Formula

C21H24BrN3OS (C21 H24 BrN3 OS)

Compound Name

2-(5-bromothiophen-2-yl)-N-{2-[butyl(methyl)amino]ethyl}quinoline-4-carboxamide

IUPAC name

2-(5-bromothiophen-2-yl)-N-{2-[butyl(methyl)amino]ethyl}quinoline-4-carboxamide

SMILES

CCCCN(C)CCNC(c1cc(-c(s2)ccc2Br)nc2ccccc12)=O

InChI

InChI=1S/C21H24BrN3OS/c1-3-4-12-25(2)13-11-23-21(26)16-14-18(19-9-10-20(22)27-19)24-17-8-6-5-7-15(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26)

InChI Key

CXGSFPPGEVHLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.545

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-5.53

Polar Surface Area

37.915

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C167-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0300?
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What is the minimum amount of C167-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0300
  • 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 C167-0300 available by request