C202-1015 Screening compound: 5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-1015 Screening compound: 5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-1015 Screening compound: 5-(3-methoxyphenyl)-8,8-dimethyl-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 C202-1015
5-(3-methoxyphenyl)-8,8-dimethyl-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

C202-1015

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

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

IUPAC name

5-(3-methoxyphenyl)-88-dimethyl-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(C3c4cc(OC)ccc4)C2=O)=C3C1=O

InChI

InChI=1S/C27H26N4O5S/c1-27(2)12-19-22(20(32)13-27)21(16-7-5-9-18(11-16)36-3)23-24(28-19)29-26(30-25(23)33)37-14-15-6-4-8-17(10-15)31(34)35/h4-11,21H,12-14H2,1-3H3,(H2,28,29,30,33)/t21-/m1/s1

InChI Key

ZMMMMBBWOYVPTB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14730270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-4.30

Polar Surface Area

98.276

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 C202-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1015?
Check Price and Availability of C202-1015, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1015
  • 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 C202-1015 available by request