C202-0756 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-0756 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-0756 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)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 C202-0756
8,8-dimethyl-5-(4-methylphenyl)-2-{[(3-nitrophenyl)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

C202-0756

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc3cc([N+]([O-])=O)ccc3)=C(C3c4ccc(C)cc4)C2=O)=C3C1=O

InChI

InChI=1S/C27H26N4O4S/c1-15-7-9-17(10-8-15)21-22-19(12-27(2,3)13-20(22)32)28-24-23(21)25(33)30-26(29-24)36-14-16-5-4-6-18(11-16)31(34)35/h4-11,21H,12-14H2,1-3H3,(H2,28,29,30,33)/t21-/m1/s1

InChI Key

SIDDUDNDRAEIJT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14730146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-4.49

Polar Surface Area

90.732

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with C202-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0756?
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What is the minimum amount of C202-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0756
  • 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 C202-0756 available by request