8012-7401 Screening compound: 2,3-dihydro-1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-ylmethoxy)methanol

8012-7401 Screening compound: 2,3-dihydro-1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-ylmethoxy)methanol
8012-7401 Screening compound: 2,3-dihydro-1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-ylmethoxy)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7401
2,3-dihydro-1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-ylmethoxy)methanol

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

8012-7401

Molecular Formula

C18H18O4 (C18 H18 O4)

Compound Name

2,3-dihydro-1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-ylmethoxy)methanol

IUPAC name

(23-dihydro-1-benzofuran-2-yl)[(23-dihydro-1-benzofuran-2-yl)methoxy]methanol

SMILES

OC(C(C1)Oc2c1cccc2)OCC(C1)Oc2c1cccc2

InChI

InChI=1S/C18H18O4/c19-18(17-10-13-6-2-4-8-16(13)22-17)20-11-14-9-12-5-1-3-7-15(12)21-14/h1-8,14,17-19H,9-11H2

InChI Key

LYEOPYVBSOQSKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02912498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-2.99

Polar Surface Area

39.937

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.33

8012-7401 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 8012-7401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7401?
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What is the minimum amount of 8012-7401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7401
  • 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 8012-7401 available by request