3838-0063A Screening compound: (1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone

3838-0063A Screening compound: (1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone
3838-0063A Screening compound: (1-amino-8,8-dimethyl-5-phenyl-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 3838-0063A
(1-amino-8,8-dimethyl-5-phenyl-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

3838-0063A

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H22N2O3/c1-25(2)13-17-18(14-29-25)21(15-9-5-3-6-10-15)27-24-19(17)20(26)23(30-24)22(28)16-11-7-4-8-12-16/h3-12H,13-14,26H2,1-2H3

InChI Key

LAUASMWZTJVXSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00288259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

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

5.222

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-5.39

Polar Surface Area

58.523

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3838-0063A in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3838-0063A chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3838-0063A?
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What is the minimum amount of 3838-0063A you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3838-0063A
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3838-0063A
  • 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 3838-0063A available by request