8018-2449 Screening compound: 2-amino-1-(3-chloro-4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8018-2449 Screening compound: 2-amino-1-(3-chloro-4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8018-2449 Screening compound: 2-amino-1-(3-chloro-4-methylphenyl)-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 8018-2449
2-amino-1-(3-chloro-4-methylphenyl)-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

8018-2449

Molecular Formula

C21H17ClN4O3S (C21 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(N(C(CCC1)=C(C2c3ccc([N+]([O-])=O)s3)C1=O)C(N)=C2C#N)c1)c1Cl

InChI

InChI=1S/C21H17ClN4O3S/c1-11-5-6-12(9-14(11)22)25-15-3-2-4-16(27)20(15)19(13(10-23)21(25)24)17-7-8-18(30-17)26(28)29/h5-9,19H,2-4,24H2,1H3/t19-/m1/s1

InChI Key

MFOSGOAVTJTVAE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07657592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.91

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

4.302

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.52

Polar Surface Area

87.128

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8018-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2449
  • 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 8018-2449 available by request