8007-4995 Screening compound: ethyl 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8007-4995 Screening compound: ethyl 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8007-4995 Screening compound: ethyl 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4995
ethyl 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

8007-4995

Molecular Formula

C25H26ClN3O3 (C25 H26 ClN3 O3)

Compound Name

ethyl 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 2-amino-1-(4-chlorophenyl)-77-dimethyl-5-oxo-4-(pyridin-3-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c1cnccc1)C1=C2CC(C)(C)CC1=O)=C(N)N2c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H26ClN3O3/c1-4-32-24(31)22-20(15-6-5-11-28-14-15)21-18(12-25(2,3)13-19(21)30)29(23(22)27)17-9-7-16(26)8-10-17/h5-11,14,20H,4,12-13,27H2,1-3H3/t20-/m0/s1

InChI Key

KRIXBCGDNOAJMX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01233706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.37

Polar Surface Area

65.592

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

8007-4995 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8007-4995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4995?
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What is the minimum amount of 8007-4995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4995
  • 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 8007-4995 available by request