8018-6615 Screening compound: N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-(3,4-dichlorophenyl)urea

8018-6615 Screening compound: N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-(3,4-dichlorophenyl)urea
8018-6615 Screening compound: N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-(3,4-dichlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6615
N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-(3,4-dichlorophenyl)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

8018-6615

Molecular Formula

C22H18Cl2N2O2 (C22 H18 Cl2 N2 O2)

Compound Name

N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-(3,4-dichlorophenyl)urea

IUPAC name

1-(34-dichlorophenyl)-3-(1-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-4-yl}propan-2-yl)urea

SMILES

CC(Cc(cc1)cc2c1oc1c2cccc1)NC(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C22H18Cl2N2O2/c1-13(25-22(27)26-15-7-8-18(23)19(24)12-15)10-14-6-9-21-17(11-14)16-4-2-3-5-20(16)28-21/h2-9,11-13H,10H2,1H3,(H2,25,26,27)/t13-/m0/s1

InChI Key

JSPLGQRYWRAPRG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08142258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.3

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

7.194

Distribution Coefficient, logD

7.193

Water Solubility, LogSw

-6.53

Polar Surface Area

41.220

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

8018-6615 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6615?
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What is the minimum amount of 8018-6615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6615
  • 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 8018-6615 available by request