F217-0138 Screening compound: butyl 4-{2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamido}benzoate

F217-0138 Screening compound: butyl 4-{2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamido}benzoate
F217-0138 Screening compound: butyl 4-{2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F217-0138
butyl 4-{2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamido}benzoate

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

F217-0138

Molecular Formula

C23H27NO5 (C23 H27 NO5)

Compound Name

butyl 4-{2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamido}benzoate

IUPAC name

butyl 4-{2-[(22-dimethyl-23-dihydro-1-benzofuran-7-yl)oxy]acetamido}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(COc1c2OC(C)(C)Cc2ccc1)=O)=O

InChI

InChI=1S/C23H27NO5/c1-4-5-13-27-22(26)16-9-11-18(12-10-16)24-20(25)15-28-19-8-6-7-17-14-23(2,3)29-21(17)19/h6-12H,4-5,13-15H2,1-3H3,(H,24,25)

InChI Key

HZTSEJYAERQKIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07952603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.29

Polar Surface Area

58.133

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F217-0138 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F217-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F217-0138?
Check Price and Availability of F217-0138, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F217-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F217-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F217-0138
  • 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 F217-0138 available by request