C202-0385 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-phenyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-0385 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-phenyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-0385 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-phenyl-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 C202-0385
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-phenyl-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

C202-0385

Molecular Formula

C26H23ClFN3O2S (C26 H23 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc(ccc(F)c3)c3Cl)=C(C3c4ccccc4)C2=O)=C3C1=O

InChI

InChI=1S/C26H23ClFN3O2S/c1-26(2)11-18-21(19(32)12-26)20(14-6-4-3-5-7-14)22-23(29-18)30-25(31-24(22)33)34-13-15-8-9-16(28)10-17(15)27/h3-10,20H,11-13H2,1-2H3,(H2,29,30,31,33)/t20-/m1/s1

InChI Key

HDKROKZZQSZRCC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14729980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496

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

5.071

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-5.48

Polar Surface Area

57.350

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C202-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0385?
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What is the minimum amount of C202-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0385
  • 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 C202-0385 available by request