8018-6751 Screening compound: 6-dibenzo[b,d]furan-2-yl-2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromene

8018-6751 Screening compound: 6-dibenzo[b,d]furan-2-yl-2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromene
8018-6751 Screening compound: 6-dibenzo[b,d]furan-2-yl-2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6751
6-dibenzo[b,d]furan-2-yl-2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromene

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

8018-6751

Molecular Formula

C26H22O4 (C26 H22 O4)

Compound Name

6-dibenzo[b,d]furan-2-yl-2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromene

IUPAC name

9-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-4-yl}-81315-trioxatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)1012(16)-triene

SMILES

C1Oc2cc(C(c(cc3)cc4c3oc3c4cccc3)OC3C4CCCC3)c4cc2O1

InChI

InChI=1S/C26H22O4/c1-4-8-22-16(5-1)18-12-24-25(28-14-27-24)13-20(18)26(30-22)15-9-10-23-19(11-15)17-6-2-3-7-21(17)29-23/h2-3,6-7,9-13,16,22,26H,1,4-5,8,14H2

InChI Key

HYOKLNPNENTUES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.700

Distribution Coefficient, logD

6.700

Water Solubility, LogSw

-6.42

Polar Surface Area

32.829

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.80

8018-6751 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8018-6751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6751?
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What is the minimum amount of 8018-6751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6751
  • 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 8018-6751 available by request