4100-3893 Screening compound: N-[4-(N-methylacetamido)phenyl]-9H-xanthene-9-carboxamide

4100-3893 Screening compound: N-[4-(N-methylacetamido)phenyl]-9H-xanthene-9-carboxamide
4100-3893 Screening compound: N-[4-(N-methylacetamido)phenyl]-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3893
N-[4-(N-methylacetamido)phenyl]-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

4100-3893

Molecular Formula

C23H20N2O3 (C23 H20 N2 O3)

Compound Name

N-[4-(N-methylacetamido)phenyl]-9H-xanthene-9-carboxamide

IUPAC name

N-[4-(N-methylacetamido)phenyl]-9H-xanthene-9-carboxamide

SMILES

CC(N(C)c(cc1)ccc1NC(C1c(cccc2)c2Oc2c1cccc2)=O)=O

InChI

InChI=1S/C23H20N2O3/c1-15(26)25(2)17-13-11-16(12-14-17)24-23(27)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-14,22H,1-2H3,(H,24,27)

InChI Key

DPGAZVUGFQHHGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

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

2.868

Distribution Coefficient, logD

-4.433

Water Solubility, LogSw

-3.61

Polar Surface Area

46.252

Acid Dissociation Constant (pKa)

-3.68

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4100-3893 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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:
  • Nervous system
  • 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 4100-3893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3893?
Check Price and Availability of 4100-3893, 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 4100-3893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3893
  • 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 4100-3893 available by request