K061-0058 Screening compound: ethyl 2-{4-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzamido}-1,3-benzothiazole-6-carboxylate

K061-0058 Screening compound: ethyl 2-{4-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzamido}-1,3-benzothiazole-6-carboxylate
K061-0058 Screening compound: ethyl 2-{4-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzamido}-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0058
ethyl 2-{4-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzamido}-1,3-benzothiazole-6-carboxylate

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

K061-0058

Molecular Formula

C29H19F3N6O4S2 (C29 H19 F3 N6 O4 S2)

Compound Name

ethyl 2-{4-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzamido}-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-{4-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]benzamido}-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(c(cc1)ccc1NC(c1nn3c(C(F)(F)F)cc(-c4cccs4)nc3c1)=O)=O)s2)=O

InChI

InChI=1S/C29H19F3N6O4S2/c1-2-42-27(41)16-7-10-18-22(12-16)44-28(35-18)36-25(39)15-5-8-17(9-6-15)33-26(40)20-14-24-34-19(21-4-3-11-43-21)13-23(29(30,31)32)38(24)37-20/h3-14H,2H2,1H3,(H,33,40)(H,35,36,39)

InChI Key

FPRFDTDQPHPWIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.950

Distribution Coefficient, logD

6.946

Water Solubility, LogSw

-5.67

Polar Surface Area

96.113

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

K061-0058 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 K061-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0058?
Check Price and Availability of K061-0058, 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 K061-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0058
  • 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 K061-0058 available by request