8018-4060 Screening compound: 2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8018-4060 Screening compound: 2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8018-4060 Screening compound: 2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4060
2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

8018-4060

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-1-(2-ethylphenyl)-77-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CCc(cccc1)c1N(C(CC(C)(C)C1)=C(C2c3ccc([N+]([O-])=O)s3)C1=O)C(N)=C2C#N

InChI

InChI=1S/C24H24N4O3S/c1-4-14-7-5-6-8-16(14)27-17-11-24(2,3)12-18(29)22(17)21(15(13-25)23(27)26)19-9-10-20(32-19)28(30)31/h5-10,21H,4,11-12,26H2,1-3H3/t21-/m0/s1

InChI Key

DQWAHQNMXHPWMJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07658531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.54

Polar Surface Area

86.827

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8018-4060 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-4060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4060?
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What is the minimum amount of 8018-4060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4060
  • 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 8018-4060 available by request