8020-6812 Screening compound: 2,4-diamino-10-(dimethylamino)-8,8-dimethyl-5-(4-methylphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridin-3-yl cyanide

8020-6812 Screening compound: 2,4-diamino-10-(dimethylamino)-8,8-dimethyl-5-(4-methylphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridin-3-yl cyanide
8020-6812 Screening compound: 2,4-diamino-10-(dimethylamino)-8,8-dimethyl-5-(4-methylphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6812
2,4-diamino-10-(dimethylamino)-8,8-dimethyl-5-(4-methylphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridin-3-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

8020-6812

Molecular Formula

C24H28N6O (C24 H28 N6 O)

Compound Name

2,4-diamino-10-(dimethylamino)-8,8-dimethyl-5-(4-methylphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridin-3-yl cyanide

IUPAC name

n/a

SMILES

CC(C)(C1)CC(N(c(nc2N)c(C3c4ccc(C)cc4)c(N)c2C#N)N(C)C)=C3C1=O

InChI

InChI=1S/C24H28N6O/c1-13-6-8-14(9-7-13)18-19-16(10-24(2,3)11-17(19)31)30(29(4)5)23-20(18)21(26)15(12-25)22(27)28-23/h6-9,18H,10-11H2,1-5H3,(H4,26,27,28)/t18-/m1/s1

InChI Key

UPFAMXFKPHVZNY-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.22

Polar Surface Area

90.825

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8020-6812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6812?
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What is the minimum amount of 8020-6812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6812
  • 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 8020-6812 available by request