5120-0434 Screening compound: (1-amino-5-ethyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone

5120-0434 Screening compound: (1-amino-5-ethyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone
5120-0434 Screening compound: (1-amino-5-ethyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5120-0434
(1-amino-5-ethyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone

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

5120-0434

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

(1-amino-5-ethyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone

IUPAC name

4-benzoyl-8-ethyl-1212-dimethyl-511-dioxa-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraen-3-amine

SMILES

CCc1nc(oc(C(c2ccccc2)=O)c2N)c2c2c1COC(C)(C)C2

InChI

InChI=1S/C21H22N2O3/c1-4-15-14-11-25-21(2,3)10-13(14)16-17(22)19(26-20(16)23-15)18(24)12-8-6-5-7-9-12/h5-9H,4,10-11,22H2,1-3H3

InChI Key

MKMOAAUKKIBCGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00366588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.80

Polar Surface Area

59.290

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5120-0434 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5120-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5120-0434?
Check Price and Availability of 5120-0434, 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 5120-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5120-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5120-0434
  • 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 5120-0434 available by request