F091-0642 Screening compound: 1-{4-amino-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-5-yl}-3-methylbutan-1-one

F091-0642 Screening compound: 1-{4-amino-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-5-yl}-3-methylbutan-1-one
F091-0642 Screening compound: 1-{4-amino-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-5-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F091-0642
1-{4-amino-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-5-yl}-3-methylbutan-1-one

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

F091-0642

Molecular Formula

C16H21N3OS (C16 H21 N3 OS)

Compound Name

1-{4-amino-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-5-yl}-3-methylbutan-1-one

IUPAC name

1-{4-amino-2-[(23-dimethylphenyl)amino]-13-thiazol-5-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(c1c(N)nc(Nc2c(C)c(C)ccc2)s1)=O

InChI

InChI=1S/C16H21N3OS/c1-9(2)8-13(20)14-15(17)19-16(21-14)18-12-7-5-6-10(3)11(12)4/h5-7,9H,8,17H2,1-4H3,(H,18,19)

InChI Key

KYBGXZHCZXRCKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.58

Polar Surface Area

52.443

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F091-0642 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F091-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F091-0642?
Check Price and Availability of F091-0642, 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 F091-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F091-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F091-0642
  • 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 F091-0642 available by request