6049-1669 Screening compound: N-(heptan-2-yl)-9H-xanthene-9-carboxamide

6049-1669 Screening compound: N-(heptan-2-yl)-9H-xanthene-9-carboxamide
6049-1669 Screening compound: N-(heptan-2-yl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1669
N-(heptan-2-yl)-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

6049-1669

Molecular Formula

C21H25NO2 (C21 H25 NO2)

Compound Name

N-(heptan-2-yl)-9H-xanthene-9-carboxamide

IUPAC name

N-(heptan-2-yl)-9H-xanthene-9-carboxamide

SMILES

CCCCCC(C)NC(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C21H25NO2/c1-3-4-5-10-15(2)22-21(23)20-16-11-6-8-13-18(16)24-19-14-9-7-12-17(19)20/h6-9,11-15,20H,3-5,10H2,1-2H3,(H,22,23)/t15-/m0/s1

InChI Key

YHMPQXDBWAFMDZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02054469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.398

Distribution Coefficient, logD

0.255

Water Solubility, LogSw

-5.33

Polar Surface Area

31.178

Acid Dissociation Constant (pKa)

2.26

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

6049-1669 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6049-1669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1669?
Check Price and Availability of 6049-1669, 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 6049-1669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1669
  • 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 6049-1669 available by request