F042-0636 Screening compound: butyl 4-[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate

F042-0636 Screening compound: butyl 4-[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate
F042-0636 Screening compound: butyl 4-[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0636
butyl 4-[2-(2-{[(3-chlorophenyl)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

F042-0636

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

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

IUPAC name

butyl 4-[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-13-thiazol-4-yl)acetamido]benzoate

SMILES

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

InChI

InChI=1S/C23H23ClN4O4S/c1-2-3-11-32-21(30)15-7-9-17(10-8-15)25-20(29)13-19-14-33-23(27-19)28-22(31)26-18-6-4-5-16(24)12-18/h4-10,12,14H,2-3,11,13H2,1H3,(H,25,29)(H2,26,27,28,31)

InChI Key

FRNZGSNSTXQXEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.567

Distribution Coefficient, logD

6.565

Water Solubility, LogSw

-6.30

Polar Surface Area

87.009

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F042-0636 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F042-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0636?
Check Price and Availability of F042-0636, 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 F042-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0636
  • 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 F042-0636 available by request