F882-0168 Screening compound: ethyl 4-[({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}carbamoyl)amino]benzoate

F882-0168 Screening compound: ethyl 4-[({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}carbamoyl)amino]benzoate
F882-0168 Screening compound: ethyl 4-[({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F882-0168
ethyl 4-[({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}carbamoyl)amino]benzoate

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

F882-0168

Molecular Formula

C25H21ClN4O4S (C25 H21 ClN4 O4 S)

Compound Name

ethyl 4-[({2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}carbamoyl)amino]benzoate

IUPAC name

ethyl 4-[({2-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}carbamoyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(Nc(cccc1)c1SCC(N=C(C=C1)N2C=C1Cl)=CC2=O)=O)=O

InChI

InChI=1S/C25H21ClN4O4S/c1-2-34-24(32)16-7-10-18(11-8-16)28-25(33)29-20-5-3-4-6-21(20)35-15-19-13-23(31)30-14-17(26)9-12-22(30)27-19/h3-14H,2,15H2,1H3,(H2,28,29,33)

InChI Key

GLNPJXWBHNXTQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.56

Polar Surface Area

78.831

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F882-0168 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F882-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F882-0168?
Check Price and Availability of F882-0168, 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 F882-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F882-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F882-0168
  • 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 F882-0168 available by request