8008-4862 Screening compound: ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8008-4862 Screening compound: ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8008-4862 Screening compound: ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4862
ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-5-oxo-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

8008-4862

Molecular Formula

C26H29BrN2O3S (C26 H29 BrN2 O3 S)

Compound Name

ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c1ccc(C(C)(C)C)s1)C1=C2CCCC1=O)=C(N)N2c(cc1)ccc1Br)=O

InChI

InChI=1S/C26H29BrN2O3S/c1-5-32-25(31)23-22(19-13-14-20(33-19)26(2,3)4)21-17(7-6-8-18(21)30)29(24(23)28)16-11-9-15(27)10-12-16/h9-14,22H,5-8,28H2,1-4H3/t22-/m0/s1

InChI Key

XJDVSCJKCPKTAH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01305066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.020

Water Solubility, LogSw

-5.38

Polar Surface Area

57.093

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8008-4862 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 8008-4862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4862?
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What is the minimum amount of 8008-4862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4862
  • 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 8008-4862 available by request