F042-0613 Screening compound: N-(4-butylphenyl)-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide

F042-0613 Screening compound: N-(4-butylphenyl)-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide
F042-0613 Screening compound: N-(4-butylphenyl)-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0613
N-(4-butylphenyl)-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)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

F042-0613

Molecular Formula

C22H23ClN4O2S (C22 H23 ClN4 O2 S)

Compound Name

N-(4-butylphenyl)-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide

IUPAC name

N-(4-butylphenyl)-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-13-thiazol-4-yl)acetamide

SMILES

CCCCc(cc1)ccc1NC(Cc1csc(NC(Nc2cccc(Cl)c2)=O)n1)=O

InChI

InChI=1S/C22H23ClN4O2S/c1-2-3-5-15-8-10-17(11-9-15)24-20(28)13-19-14-30-22(26-19)27-21(29)25-18-7-4-6-16(23)12-18/h4,6-12,14H,2-3,5,13H2,1H3,(H,24,28)(H2,25,26,27,29)

InChI Key

LPANUIXJQDHCOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.950

Distribution Coefficient, logD

6.948

Water Solubility, LogSw

-6.29

Polar Surface Area

65.961

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F042-0613 in Drug Discovery

Included in Screening Libraries

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 F042-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0613?
Check Price and Availability of F042-0613, 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 F042-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0613
  • 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 F042-0613 available by request