F091-0641 Screening compound: N2-(2,3-dimethylphenyl)-5-(2-methyl-1H-indole-3-carbonyl)-1,3-thiazole-2,4-diamine

F091-0641 Screening compound: N2-(2,3-dimethylphenyl)-5-(2-methyl-1H-indole-3-carbonyl)-1,3-thiazole-2,4-diamine
F091-0641 Screening compound: N2-(2,3-dimethylphenyl)-5-(2-methyl-1H-indole-3-carbonyl)-1,3-thiazole-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound F091-0641
N2-(2,3-dimethylphenyl)-5-(2-methyl-1H-indole-3-carbonyl)-1,3-thiazole-2,4-diamine

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

F091-0641

Molecular Formula

C21H20N4OS (C21 H20 N4 OS)

Compound Name

N2-(2,3-dimethylphenyl)-5-(2-methyl-1H-indole-3-carbonyl)-1,3-thiazole-2,4-diamine

IUPAC name

N2-(23-dimethylphenyl)-5-(2-methyl-1H-indole-3-carbonyl)-13-thiazole-24-diamine

SMILES

Cc1c(C(c2c(N)nc(Nc3c(C)c(C)ccc3)s2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C21H20N4OS/c1-11-7-6-10-15(12(11)2)24-21-25-20(22)19(27-21)18(26)17-13(3)23-16-9-5-4-8-14(16)17/h4-10,23H,22H2,1-3H3,(H,24,25)

InChI Key

HUXVSRPQVCNUFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.74

Polar Surface Area

62.589

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F091-0641 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F091-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F091-0641?
Check Price and Availability of F091-0641, 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 F091-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F091-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F091-0641
  • 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 F091-0641 available by request