4306-0260 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0260 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0260 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0260
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-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

4306-0260

Molecular Formula

C26H28N4O3S2 (C26 H28 N4 O3 S2)

Compound Name

2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-77-dimethyl-1-(3-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CCc1cc(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c2cc([N+]([O-])=O)ccc2)c(SCC)s1

InChI

InChI=1S/C26H28N4O3S2/c1-5-17-11-18(25(35-17)34-6-2)22-19(14-27)24(28)29(15-8-7-9-16(10-15)30(32)33)20-12-26(3,4)13-21(31)23(20)22/h7-11,22H,5-6,12-13,28H2,1-4H3/t22-/m1/s1

InChI Key

VHZHLPMHFUPEPX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05151148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-5.41

Polar Surface Area

86.777

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 4306-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0260?
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What is the minimum amount of 4306-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0260
  • 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 4306-0260 available by request