C202-1458 Screening compound: 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-1458 Screening compound: 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-1458 Screening compound: 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-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 C202-1458
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-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

C202-1458

Molecular Formula

C29H31N3O3S (C29 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc3c(C)cc(C)cc3)=C(C3c(cccc4)c4OC)C2=O)=C3C1=O

InChI

InChI=1S/C29H31N3O3S/c1-16-10-11-18(17(2)12-16)15-36-28-31-26-25(27(34)32-28)23(19-8-6-7-9-22(19)35-5)24-20(30-26)13-29(3,4)14-21(24)33/h6-12,23H,13-15H2,1-5H3,(H2,30,31,32,34)/t23-/m1/s1

InChI Key

BZBCUCFFWSLWTI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14730452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-5.34

Polar Surface Area

64.981

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with C202-1458 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 C202-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1458
  • 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 C202-1458 available by request