C202-0762 Screening compound: 5-(4-bromophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-0762 Screening compound: 5-(4-bromophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-0762 Screening compound: 5-(4-bromophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-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 C202-0762
5-(4-bromophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-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

C202-0762

Molecular Formula

C24H19BrFN3O2S (C24 H19 BrFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1)C(C2c(cc3)ccc3Br)=C1NC(N=C(N1)SCc3cc(F)ccc3)=C2C1=O

InChI

InChI=1S/C24H19BrFN3O2S/c25-15-9-7-14(8-10-15)19-20-17(5-2-6-18(20)30)27-22-21(19)23(31)29-24(28-22)32-12-13-3-1-4-16(26)11-13/h1,3-4,7-11,19H,2,5-6,12H2,(H2,27,28,29,31)/t19-/m0/s1

InChI Key

DZHLJNSYYPPRFY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14730149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.4

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

4.518

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-4.49

Polar Surface Area

57.350

Acid Dissociation Constant (pKa)

5.98

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C202-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0762?
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What is the minimum amount of C202-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0762
  • 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 C202-0762 available by request