6279-5849 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(2-nitrophenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

6279-5849 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(2-nitrophenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
6279-5849 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-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 6279-5849
2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-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

6279-5849

Molecular Formula

C26H23FN4O4S (C26 H23 FN4 O4 S)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-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}-88-dimethyl-5-(2-nitrophenyl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc(cccc3)c3F)=C(C3c(cccc4)c4[N+]([O-])=O)C2=O)=C3C1=O

InChI

InChI=1S/C26H23FN4O4S/c1-26(2)11-17-21(19(32)12-26)20(15-8-4-6-10-18(15)31(34)35)22-23(28-17)29-25(30-24(22)33)36-13-14-7-3-5-9-16(14)27/h3-10,20H,11-13H2,1-2H3,(H2,28,29,30,33)/t20-/m1/s1

InChI Key

ZWTKZYFDOZEYQP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04065194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

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

4.352

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-4.41

Polar Surface Area

90.431

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 6279-5849 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6279-5849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6279-5849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6279-5849
  • 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 6279-5849 available by request