C117-0206 Screening compound: 8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C117-0206 Screening compound: 8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C117-0206 Screening compound: 8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-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 C117-0206
8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-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

C117-0206

Molecular Formula

C29H30N4O7S (C29 H30 N4 O7 S)

Compound Name

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

IUPAC name

88-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(345-trimethoxyphenyl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc(cc3)ccc3[N+]([O-])=O)=C(C3c(cc4OC)cc(OC)c4OC)C2=O)=C3C1=O

InChI

InChI=1S/C29H30N4O7S/c1-29(2)12-18-23(19(34)13-29)22(16-10-20(38-3)25(40-5)21(11-16)39-4)24-26(30-18)31-28(32-27(24)35)41-14-15-6-8-17(9-7-15)33(36)37/h6-11,22H,12-14H2,1-5H3,(H2,30,31,32,35)/t22-/m1/s1

InChI Key

OLYBRPCFZJEFCC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04457384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

1.795

Water Solubility, LogSw

-3.88

Polar Surface Area

113.710

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with C117-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0206?
Check Price and Availability of C117-0206, 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 C117-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0206
  • 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 C117-0206 available by request