F042-0771 Screening compound: ethyl 4-[2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate

F042-0771 Screening compound: ethyl 4-[2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate
F042-0771 Screening compound: ethyl 4-[2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0771
ethyl 4-[2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]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

F042-0771

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

ethyl 4-[2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-13-thiazol-4-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cc1csc(NC(Nc(cccc2)c2OC)=O)n1)=O)=O

InChI

InChI=1S/C22H22N4O5S/c1-3-31-20(28)14-8-10-15(11-9-14)23-19(27)12-16-13-32-22(24-16)26-21(29)25-17-6-4-5-7-18(17)30-2/h4-11,13H,3,12H2,1-2H3,(H,23,27)(H2,24,25,26,29)

InChI Key

FCEBKRXOVOCZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.39

Polar Surface Area

93.647

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F042-0771 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F042-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0771?
Check Price and Availability of F042-0771, 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 F042-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0771
  • 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 F042-0771 available by request