1548-0805 Screening compound: 2-{2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid

1548-0805 Screening compound: 2-{2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid
1548-0805 Screening compound: 2-{2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0805
2-{2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid

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

1548-0805

Molecular Formula

C21H23N3O8 (C21 H23 N3 O8)

Compound Name

2-{2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid

IUPAC name

2-{2-[(E)-({2-[(345-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid

SMILES

COc1cc(C(NCC(N/N=C/c(cccc2)c2OCC(O)=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C21H23N3O8/c1-29-16-8-14(9-17(30-2)20(16)31-3)21(28)22-11-18(25)24-23-10-13-6-4-5-7-15(13)32-12-19(26)27/h4-10H,11-12H2,1-3H3,(H,22,28)(H,24,25)(H,26,27)

InChI Key

MHTPTQNMIJIFEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01011235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

-2.143

Water Solubility, LogSw

-2.97

Polar Surface Area

118.973

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 1548-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0805?
Check Price and Availability of 1548-0805, 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 1548-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0805
  • 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 1548-0805 available by request