2235-0604 Screening compound: (4E)-4-({2-[(2-methoxyphenyl)formamido]acetamido}imino)-4-phenylbutanoic acid

2235-0604 Screening compound: (4E)-4-({2-[(2-methoxyphenyl)formamido]acetamido}imino)-4-phenylbutanoic acid
2235-0604 Screening compound: (4E)-4-({2-[(2-methoxyphenyl)formamido]acetamido}imino)-4-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2235-0604
(4E)-4-({2-[(2-methoxyphenyl)formamido]acetamido}imino)-4-phenylbutanoic 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

2235-0604

Molecular Formula

C20H21N3O5 (C20 H21 N3 O5)

Compound Name

(4E)-4-({2-[(2-methoxyphenyl)formamido]acetamido}imino)-4-phenylbutanoic acid

IUPAC name

(4E)-4-({2-[(2-methoxyphenyl)formamido]acetamido}imino)-4-phenylbutanoic acid

SMILES

COc(cccc1)c1C(NCC(N/N=C(\CCC(O)=O)/c1ccccc1)=O)=O

InChI

InChI=1S/C20H21N3O5/c1-28-17-10-6-5-9-15(17)20(27)21-13-18(24)23-22-16(11-12-19(25)26)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,27)(H,23,24)(H,25,26)

InChI Key

ORHYCKLHVWRFAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

-0.377

Water Solubility, LogSw

-2.89

Polar Surface Area

95.639

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2235-0604 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2235-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2235-0604?
Check Price and Availability of 2235-0604, 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 2235-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2235-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2235-0604
  • 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 2235-0604 available by request