4130-5471 Screening compound: N-(cyanomethyl)-9H-xanthene-9-carboxamide

4130-5471 Screening compound: N-(cyanomethyl)-9H-xanthene-9-carboxamide
4130-5471 Screening compound: N-(cyanomethyl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5471
N-(cyanomethyl)-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

4130-5471

Molecular Formula

C16H12N2O2 (C16 H12 N2 O2)

Compound Name

N-(cyanomethyl)-9H-xanthene-9-carboxamide

IUPAC name

N-(cyanomethyl)-9H-xanthene-9-carboxamide

SMILES

N#CCNC(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C16H12N2O2/c17-9-10-18-16(19)15-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)15/h1-8,15H,10H2,(H,18,19)

InChI Key

FBLFTTGITNFUOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

-4.377

Water Solubility, LogSw

-2.37

Polar Surface Area

49.070

Acid Dissociation Constant (pKa)

1.10

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4130-5471 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4130-5471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5471?
Check Price and Availability of 4130-5471, 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 4130-5471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5471
  • 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 4130-5471 available by request