C202-0289 Screening compound: 2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

C202-0289 Screening compound: 2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
C202-0289 Screening compound: 2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0289
2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

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

C202-0289

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

2-{[8,8-dimethyl-5-(4-methylphenyl)-4,6-dioxo-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{[88-dimethyl-5-(4-methylphenyl)-46-dioxo-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCC(NCc3ccco3)=O)=C(C3c4ccc(C)cc4)C2=O)=C3C1=O

InChI

InChI=1S/C27H28N4O4S/c1-15-6-8-16(9-7-15)21-22-18(11-27(2,3)12-19(22)32)29-24-23(21)25(34)31-26(30-24)36-14-20(33)28-13-17-5-4-10-35-17/h4-10,21H,11-14H2,1-3H3,(H,28,33)(H2,29,30,31,34)/t21-/m1/s1

InChI Key

MVMRIJLJRFXCCZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14729944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

1.601

Water Solubility, LogSw

-3.67

Polar Surface Area

89.571

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C202-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0289?
Check Price and Availability of C202-0289, 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 C202-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0289
  • 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 C202-0289 available by request