4306-0257 Screening compound: 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0257 Screening compound: 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0257 Screening compound: 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0257
2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-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

4306-0257

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

IUPAC name

2-amino-4-(25-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1cc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c2cc([N+]([O-])=O)ccc2)c(C)s1

InChI

InChI=1S/C22H20N4O3S/c1-12-9-16(13(2)30-12)20-17(11-23)22(24)25(18-7-4-8-19(27)21(18)20)14-5-3-6-15(10-14)26(28)29/h3,5-6,9-10,20H,4,7-8,24H2,1-2H3/t20-/m1/s1

InChI Key

AGFKIJXKWDQITK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03933948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

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

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.14

Polar Surface Area

86.777

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4306-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0257?
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What is the minimum amount of 4306-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0257
  • 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 4306-0257 available by request