C202-1459 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-1459 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-1459 Screening compound: 2-{[(4-fluorophenyl)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 C202-1459
2-{[(4-fluorophenyl)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

C202-1459

Molecular Formula

C27H26FN3O3S (C27 H26 FN3 O3 S)

Compound Name

2-{[(4-fluorophenyl)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-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-88-dimethyl-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc(cc3)ccc3F)=C(C3c(cccc4)c4OC)C2=O)=C3C1=O

InChI

InChI=1S/C27H26FN3O3S/c1-27(2)12-18-22(19(32)13-27)21(17-6-4-5-7-20(17)34-3)23-24(29-18)30-26(31-25(23)33)35-14-15-8-10-16(28)11-9-15/h4-11,21H,12-14H2,1-3H3,(H2,29,30,31,33)/t21-/m1/s1

InChI Key

ZKQIYWQZPHSSRM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07524830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

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

4.126

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-4.41

Polar Surface Area

64.981

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with C202-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C202-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1459
  • 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 C202-1459 available by request