5522-0402 Screening compound: 2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxybenzoic acid

5522-0402 Screening compound: 2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxybenzoic acid
5522-0402 Screening compound: 2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5522-0402
2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxybenzoic 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

5522-0402

Molecular Formula

C13H15NO5 (C13 H15 NO5)

Compound Name

2-[(cyclopropylcarbonyl)amino]-4,5-dimethoxybenzoic acid

IUPAC name

n/a

SMILES

COc(c(OC)c1)cc(C(O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C13H15NO5/c1-18-10-5-8(13(16)17)9(6-11(10)19-2)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)

InChI Key

JXGBRFGCGDKCCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

-1.421

Water Solubility, LogSw

-2.21

Polar Surface Area

66.824

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

5522-0402 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5522-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5522-0402?
Check Price and Availability of 5522-0402, 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 5522-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5522-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5522-0402
  • 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 5522-0402 available by request