5120-0427 Screening compound: (1-amino-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone

5120-0427 Screening compound: (1-amino-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone
5120-0427 Screening compound: (1-amino-5,8,8-trimethyl-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 5120-0427
(1-amino-5,8,8-trimethyl-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

5120-0427

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

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

IUPAC name

4-benzoyl-81212-trimethyl-511-dioxa-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraen-3-amine

SMILES

CC(C)(C1)OCc(c(C)n2)c1c1c2oc(C(c2ccccc2)=O)c1N

InChI

InChI=1S/C20H20N2O3/c1-11-14-10-24-20(2,3)9-13(14)15-16(21)18(25-19(15)22-11)17(23)12-7-5-4-6-8-12/h4-8H,9-10,21H2,1-3H3

InChI Key

QSFZMZFTAMVVPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00376671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.50

Polar Surface Area

58.601

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5120-0427 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5120-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5120-0427?
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What is the minimum amount of 5120-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5120-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5120-0427
  • 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 5120-0427 available by request