D216-0181 Screening compound: N-cyclohexyl-2-[1-(pyrazin-2-yl)-N-(thiophen-2-yl)formamido]-2-(quinolin-3-yl)acetamide

D216-0181 Screening compound: N-cyclohexyl-2-[1-(pyrazin-2-yl)-N-(thiophen-2-yl)formamido]-2-(quinolin-3-yl)acetamide
D216-0181 Screening compound: N-cyclohexyl-2-[1-(pyrazin-2-yl)-N-(thiophen-2-yl)formamido]-2-(quinolin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0181
N-cyclohexyl-2-[1-(pyrazin-2-yl)-N-(thiophen-2-yl)formamido]-2-(quinolin-3-yl)acetamide

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

D216-0181

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

N-cyclohexyl-2-[1-(pyrazin-2-yl)-N-(thiophen-2-yl)formamido]-2-(quinolin-3-yl)acetamide

IUPAC name

N-cyclohexyl-2-[1-(pyrazin-2-yl)-N-(thiophen-2-yl)formamido]-2-(quinolin-3-yl)acetamide

SMILES

O=C(C(c1cc2ccccc2nc1)N(C(c1nccnc1)=O)c1cccs1)NC1CCCCC1

InChI

InChI=1S/C26H25N5O2S/c32-25(30-20-8-2-1-3-9-20)24(19-15-18-7-4-5-10-21(18)29-16-19)31(23-11-6-14-34-23)26(33)22-17-27-12-13-28-22/h4-7,10-17,20,24H,1-3,8-9H2,(H,30,32)/t24-/m1/s1

InChI Key

JXBCHMXWUZSRBY-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14814285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-3.98

Polar Surface Area

67.608

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D216-0181 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0181?
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What is the minimum amount of D216-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0181
  • 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 D216-0181 available by request