1548-0804 Screening compound: 2-{2-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid

1548-0804 Screening compound: 2-{2-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid
1548-0804 Screening compound: 2-{2-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0804
2-{2-[(E)-({2-[(3,4-dimethoxyphenyl)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

1548-0804

Molecular Formula

C20H21N3O7 (C20 H21 N3 O7)

Compound Name

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

IUPAC name

2-{2-[(E)-({2-[(34-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenoxy}acetic acid

SMILES

COc(ccc(C(NCC(N/N=C/c(cccc1)c1OCC(O)=O)=O)=O)c1)c1OC

InChI

InChI=1S/C20H21N3O7/c1-28-16-8-7-13(9-17(16)29-2)20(27)21-11-18(24)23-22-10-14-5-3-4-6-15(14)30-12-19(25)26/h3-10H,11-12H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)

InChI Key

NSHQCWIADRAEES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01011234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

-2.300

Water Solubility, LogSw

-2.54

Polar Surface Area

111.256

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1548-0804 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1548-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0804?
Check Price and Availability of 1548-0804, 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 1548-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0804
  • 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 1548-0804 available by request