F217-0405 Screening compound: 1,4-dimethyl 2-(4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}benzamido)benzene-1,4-dicarboxylate

F217-0405 Screening compound: 1,4-dimethyl 2-(4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}benzamido)benzene-1,4-dicarboxylate
F217-0405 Screening compound: 1,4-dimethyl 2-(4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}benzamido)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F217-0405
1,4-dimethyl 2-(4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}benzamido)benzene-1,4-dicarboxylate

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

F217-0405

Molecular Formula

C28H27NO7 (C28 H27 NO7)

Compound Name

1,4-dimethyl 2-(4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}benzamido)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-(4-{[(22-dimethyl-23-dihydro-1-benzofuran-7-yl)oxy]methyl}benzamido)benzene-14-dicarboxylate

SMILES

CC(C)(Cc1ccc2)Oc1c2OCc(cc1)ccc1C(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C28H27NO7/c1-28(2)15-20-6-5-7-23(24(20)36-28)35-16-17-8-10-18(11-9-17)25(30)29-22-14-19(26(31)33-3)12-13-21(22)27(32)34-4/h5-14H,15-16H2,1-4H3,(H,29,30)

InChI Key

CZMCAFAUZBDCLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-5.16

Polar Surface Area

78.677

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F217-0405 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 F217-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F217-0405?
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What is the minimum amount of F217-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F217-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F217-0405
  • 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 F217-0405 available by request