4130-5459 Screening compound: N-(2,5-dimethoxyphenyl)-9H-xanthene-9-carboxamide

4130-5459 Screening compound: N-(2,5-dimethoxyphenyl)-9H-xanthene-9-carboxamide
4130-5459 Screening compound: N-(2,5-dimethoxyphenyl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5459
N-(2,5-dimethoxyphenyl)-9H-xanthene-9-carboxamide

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

4130-5459

Molecular Formula

C22H19NO4 (C22 H19 NO4)

Compound Name

N-(2,5-dimethoxyphenyl)-9H-xanthene-9-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-9H-xanthene-9-carboxamide

SMILES

COc(cc1)cc(NC(C2c(cccc3)c3Oc3c2cccc3)=O)c1OC

InChI

InChI=1S/C22H19NO4/c1-25-14-11-12-20(26-2)17(13-14)23-22(24)21-15-7-3-5-9-18(15)27-19-10-6-4-8-16(19)21/h3-13,21H,1-2H3,(H,23,24)

InChI Key

JGCLHFUHIQVAQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01349561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

-3.184

Water Solubility, LogSw

-4.57

Polar Surface Area

44.620

Acid Dissociation Constant (pKa)

-3.68

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4130-5459 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 4130-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5459?
Check Price and Availability of 4130-5459, 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 4130-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5459
  • 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 4130-5459 available by request