8016-3706 Screening compound: diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

8016-3706 Screening compound: diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
8016-3706 Screening compound: diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3706
diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

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

8016-3706

Molecular Formula

C31H28FN3O7S (C31 H28 FN3 O7 S)

Compound Name

diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

IUPAC name

36-diethyl 2-amino-1-(2-fluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCOC(C(C(CC1=C2C(c3cc([N+]([O-])=O)ccc3)C(C(OCC)=O)=C(N)N1c(cccc1)c1F)c1cccs1)C2=O)=O

InChI

InChI=1S/C31H28FN3O7S/c1-3-41-30(37)25-19(23-13-8-14-43-23)16-22-26(28(25)36)24(17-9-7-10-18(15-17)35(39)40)27(31(38)42-4-2)29(33)34(22)21-12-6-5-11-20(21)32/h5-15,19,24-25H,3-4,16,33H2,1-2H3

InChI Key

GPVHZZXSRMWFEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.69

Polar Surface Area

110.554

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.81

8016-3706 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8016-3706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3706?
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What is the minimum amount of 8016-3706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3706
  • 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 8016-3706 available by request