8018-2175 Screening compound: 2-amino-1-(3-fluorophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8018-2175 Screening compound: 2-amino-1-(3-fluorophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8018-2175 Screening compound: 2-amino-1-(3-fluorophenyl)-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 8018-2175
2-amino-1-(3-fluorophenyl)-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

8018-2175

Molecular Formula

C20H15FN4O3S (C20 H15 FN4 O3 S)

Compound Name

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

IUPAC name

2-amino-1-(3-fluorophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

NC(N(C(CCC1)=C(C2c3ccc([N+]([O-])=O)s3)C1=O)c1cc(F)ccc1)=C2C#N

InChI

InChI=1S/C20H15FN4O3S/c21-11-3-1-4-12(9-11)24-14-5-2-6-15(26)19(14)18(13(10-22)20(24)23)16-7-8-17(29-16)25(27)28/h1,3-4,7-9,18H,2,5-6,23H2/t18-/m0/s1

InChI Key

AVDCBMRYDYDHRR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07657376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.53

Polar Surface Area

87.128

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8018-2175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2175?
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What is the minimum amount of 8018-2175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2175
  • 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 8018-2175 available by request