8018-6544 Screening compound: N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-methylthiourea

8018-6544 Screening compound: N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-methylthiourea
8018-6544 Screening compound: N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-methylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6544
N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-methylthiourea

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

8018-6544

Molecular Formula

C17H18N2OS (C17 H18 N2 OS)

Compound Name

N-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-N'-methylthiourea

IUPAC name

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

SMILES

CC(Cc(cc1)cc2c1oc1c2cccc1)NC(NC)=S

InChI

InChI=1S/C17H18N2OS/c1-11(19-17(21)18-2)9-12-7-8-16-14(10-12)13-5-3-4-6-15(13)20-16/h3-8,10-11H,9H2,1-2H3,(H2,18,19,21)/t11-/m0/s1

InChI Key

KWDWEEMTGZKUJQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD08142193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.33

Polar Surface Area

29.483

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8018-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6544?
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What is the minimum amount of 8018-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6544
  • 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 8018-6544 available by request