C202-1593 Screening compound: 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-1593 Screening compound: 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-1593 Screening compound: 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-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 C202-1593
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-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

C202-1593

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

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

IUPAC name

2-{[(24-dimethylphenyl)methyl]sulfanyl}-88-dimethyl-5-(propan-2-yl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)C(C(C(CC(C)(C)C1)=O)=C1N1)C(C(N2)=O)=C1N=C2SCc1c(C)cc(C)cc1

InChI

InChI=1S/C25H31N3O2S/c1-13(2)19-20-17(10-25(5,6)11-18(20)29)26-22-21(19)23(30)28-24(27-22)31-12-16-8-7-14(3)9-15(16)4/h7-9,13,19H,10-12H2,1-6H3,(H2,26,27,28,30)/t19-/m1/s1

InChI Key

YJBDEUABQBLSAD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14730510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-4.56

Polar Surface Area

57.622

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with C202-1593 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C202-1593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1593
  • 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 C202-1593 available by request