8018-6769 Screening compound: methyl 2-{4-[2-(dibenzylamino)acetamido]phenoxy}acetate

8018-6769 Screening compound: methyl 2-{4-[2-(dibenzylamino)acetamido]phenoxy}acetate
8018-6769 Screening compound: methyl 2-{4-[2-(dibenzylamino)acetamido]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6769
methyl 2-{4-[2-(dibenzylamino)acetamido]phenoxy}acetate

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

8018-6769

Molecular Formula

C25H26N2O4 (C25 H26 N2 O4)

Compound Name

methyl 2-{4-[2-(dibenzylamino)acetamido]phenoxy}acetate

IUPAC name

methyl 2-{4-[2-(dibenzylamino)acetamido]phenoxy}acetate

SMILES

COC(COc(cc1)ccc1NC(CN(Cc1ccccc1)Cc1ccccc1)=O)=O

InChI

InChI=1S/C25H26N2O4/c1-30-25(29)19-31-23-14-12-22(13-15-23)26-24(28)18-27(16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-15H,16-19H2,1H3,(H,26,28)

InChI Key

ZBQMRCOJHRXJSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.18

Polar Surface Area

54.906

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-6769 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-6769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6769?
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What is the minimum amount of 8018-6769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6769
  • 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 8018-6769 available by request