4130-5465 Screening compound: ethyl 4-(9H-xanthene-9-amido)benzoate

4130-5465 Screening compound: ethyl 4-(9H-xanthene-9-amido)benzoate
4130-5465 Screening compound: ethyl 4-(9H-xanthene-9-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5465
ethyl 4-(9H-xanthene-9-amido)benzoate

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

4130-5465

Molecular Formula

C23H19NO4 (C23 H19 NO4)

Compound Name

ethyl 4-(9H-xanthene-9-amido)benzoate

IUPAC name

ethyl 4-(9H-xanthene-9-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1c(cccc2)c2Oc2c1cccc2)=O)=O

InChI

InChI=1S/C23H19NO4/c1-2-27-23(26)15-11-13-16(14-12-15)24-22(25)21-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)21/h3-14,21H,2H2,1H3,(H,24,25)

InChI Key

JSOKAICWJNVDPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00249718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

-2.565

Water Solubility, LogSw

-4.55

Polar Surface Area

50.897

Acid Dissociation Constant (pKa)

0.10

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4130-5465 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4130-5465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5465?
Check Price and Availability of 4130-5465, 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 4130-5465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5465
  • 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 4130-5465 available by request