8020-8755 Screening compound: 4-amino-6-(diethylamino)-1-(4-methylphenyl)-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-7-yl cyanide

8020-8755 Screening compound: 4-amino-6-(diethylamino)-1-(4-methylphenyl)-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-7-yl cyanide
8020-8755 Screening compound: 4-amino-6-(diethylamino)-1-(4-methylphenyl)-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-7-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8755
4-amino-6-(diethylamino)-1-(4-methylphenyl)-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-7-yl cyanide

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

8020-8755

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

4-amino-6-(diethylamino)-1-(4-methylphenyl)-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-7-yl cyanide

IUPAC name

4-amino-6-(diethylamino)-1-(4-methylphenyl)-3-oxo-1H3H-furo[34-c]pyridine-7-carbonitrile

SMILES

CCN(CC)c(c(C#N)c1C(c2ccc(C)cc2)O2)nc(N)c1C2=O

InChI

InChI=1S/C19H20N4O2/c1-4-23(5-2)18-13(10-20)14-15(17(21)22-18)19(24)25-16(14)12-8-6-11(3)7-9-12/h6-9,16H,4-5H2,1-3H3,(H2,21,22)/t16-/m0/s1

InChI Key

LTPJAOUUBACOCM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32223245

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.16

Polar Surface Area

70.811

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8020-8755 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 8020-8755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8755?
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What is the minimum amount of 8020-8755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8755
  • 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 8020-8755 available by request