8018-5526 Screening compound: N-(3-chlorophenyl)-N'-(2-dibenzo[b,d]furan-2-ylethyl)urea

8018-5526 Screening compound: N-(3-chlorophenyl)-N'-(2-dibenzo[b,d]furan-2-ylethyl)urea
8018-5526 Screening compound: N-(3-chlorophenyl)-N'-(2-dibenzo[b,d]furan-2-ylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5526
N-(3-chlorophenyl)-N'-(2-dibenzo[b,d]furan-2-ylethyl)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

8018-5526

Molecular Formula

C21H17ClN2O2 (C21 H17 ClN2 O2)

Compound Name

N-(3-chlorophenyl)-N'-(2-dibenzo[b,d]furan-2-ylethyl)urea

IUPAC name

1-(3-chlorophenyl)-3-(2-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-4-yl}ethyl)urea

SMILES

O=C(NCCc(cc1)cc2c1oc1c2cccc1)Nc1cccc(Cl)c1

InChI

InChI=1S/C21H17ClN2O2/c22-15-4-3-5-16(13-15)24-21(25)23-11-10-14-8-9-20-18(12-14)17-6-1-2-7-19(17)26-20/h1-9,12-13H,10-11H2,(H2,23,24,25)

InChI Key

JIRSKUIOFBZMKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-6.09

Polar Surface Area

41.620

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8018-5526 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8018-5526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5526?
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What is the minimum amount of 8018-5526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5526
  • 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 8018-5526 available by request