6279-6035 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(2-nitrophenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

6279-6035 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(2-nitrophenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
6279-6035 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(2-nitrophenyl)-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 6279-6035
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(2-nitrophenyl)-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

6279-6035

Molecular Formula

C24H19FN4O4S (C24 H19 FN4 O4 S)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(2-nitrophenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(2-nitrophenyl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

[O-][N+](c1c(C(C(C(CCC2)=O)=C2N2)C(C(N3)=O)=C2N=C3SCc(cccc2)c2F)cccc1)=O

InChI

InChI=1S/C24H19FN4O4S/c25-15-8-3-1-6-13(15)12-34-24-27-22-21(23(31)28-24)19(14-7-2-4-10-17(14)29(32)33)20-16(26-22)9-5-11-18(20)30/h1-4,6-8,10,19H,5,9,11-12H2,(H2,26,27,28,31)/t19-/m1/s1

InChI Key

CXFYPBMFSRRBPO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04065218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-4.21

Polar Surface Area

90.431

Acid Dissociation Constant (pKa)

5.98

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 6279-6035 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6279-6035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6279-6035
  • 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 6279-6035 available by request