C270-0711 Screening compound: N-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)urea

C270-0711 Screening compound: N-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)urea
C270-0711 Screening compound: N-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0711
N-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)urea

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

C270-0711

Molecular Formula

C22H27N3O (C22 H27 N3 O)

Compound Name

N-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)urea

IUPAC name

1-(5678-tetrahydronaphthalen-1-yl)-3-[2-(1234-tetrahydroquinolin-1-yl)ethyl]urea

SMILES

O=C(NCCN(CCC1)c2c1cccc2)Nc1c(CCCC2)c2ccc1

InChI

InChI=1S/C22H27N3O/c26-22(24-20-12-5-9-17-7-1-3-11-19(17)20)23-14-16-25-15-6-10-18-8-2-4-13-21(18)25/h2,4-5,8-9,12-13H,1,3,6-7,10-11,14-16H2,(H2,23,24,26)

InChI Key

XTOAQKVFCNDYBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.55

Polar Surface Area

35.741

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C270-0711 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 C270-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0711?
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What is the minimum amount of C270-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0711
  • 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 C270-0711 available by request