8015-3703 Screening compound: 3,6-dimethyl 2-amino-1-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

8015-3703 Screening compound: 3,6-dimethyl 2-amino-1-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
8015-3703 Screening compound: 3,6-dimethyl 2-amino-1-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3703
3,6-dimethyl 2-amino-1-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

8015-3703

Molecular Formula

C31H27F2N3O6 (C31 H27 F2 N3 O6)

Compound Name

3,6-dimethyl 2-amino-1-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

36-dimethyl 2-amino-1-(24-difluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-145678-hexahydroquinoline-36-dicarboxylate

SMILES

COC(C(C(CC1=C2C(c3cnccc3)C(C(OC)=O)=C(N)N1c(ccc(F)c1)c1F)c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C31H27F2N3O6/c1-40-19-9-6-16(7-10-19)20-14-23-26(28(37)25(20)30(38)41-2)24(17-5-4-12-35-15-17)27(31(39)42-3)29(34)36(23)22-11-8-18(32)13-21(22)33/h4-13,15,20,24-25H,14,34H2,1-3H3

InChI Key

XLDINHGEGSGGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.58

Polar Surface Area

94.056

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.60

8015-3703 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-3703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3703?
Check Price and Availability of 8015-3703, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-3703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3703
  • 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 8015-3703 available by request