6279-6043 Screening compound: 5-(4-bromophenyl)-2-(methylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

6279-6043 Screening compound: 5-(4-bromophenyl)-2-(methylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
6279-6043 Screening compound: 5-(4-bromophenyl)-2-(methylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6279-6043
5-(4-bromophenyl)-2-(methylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

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

6279-6043

Molecular Formula

C18H16BrN3O2S (C18 H16 BrN3 O2 S)

Compound Name

5-(4-bromophenyl)-2-(methylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

IUPAC name

5-(4-bromophenyl)-2-(methylsulfanyl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CSC(N1)=NC(NC(CCC2)=C(C3c(cc4)ccc4Br)C2=O)=C3C1=O

InChI

InChI=1S/C18H16BrN3O2S/c1-25-18-21-16-15(17(24)22-18)13(9-5-7-10(19)8-6-9)14-11(20-16)3-2-4-12(14)23/h5-8,13H,2-4H2,1H3,(H2,20,21,22,24)/t13-/m0/s1

InChI Key

JHGFVLKNIDMYSE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04991311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

1.320

Water Solubility, LogSw

-3.53

Polar Surface Area

57.622

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

6279-6043 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6279-6043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6279-6043?
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What is the minimum amount of 6279-6043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6279-6043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6279-6043
  • 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 6279-6043 available by request