K061-0052 Screening compound: N-(6-amino-1,3-benzothiazol-2-yl)-2,4-dichloro-N-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]benzamide

K061-0052 Screening compound: N-(6-amino-1,3-benzothiazol-2-yl)-2,4-dichloro-N-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]benzamide
K061-0052 Screening compound: N-(6-amino-1,3-benzothiazol-2-yl)-2,4-dichloro-N-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0052
N-(6-amino-1,3-benzothiazol-2-yl)-2,4-dichloro-N-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]benzamide

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

K061-0052

Molecular Formula

C26H13Cl2F3N6O2S2 (C26 H13 Cl2 F3 N6 O2 S2)

Compound Name

N-(6-amino-1,3-benzothiazol-2-yl)-2,4-dichloro-N-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]benzamide

IUPAC name

N-(6-amino-13-benzothiazol-2-yl)-24-dichloro-N-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]benzamide

SMILES

Nc(cc1)cc2c1nc(N(C(c1nn3c(C(F)(F)F)cc(-c4cccs4)nc3c1)=O)C(c(ccc(Cl)c1)c1Cl)=O)s2

InChI

InChI=1S/C26H13Cl2F3N6O2S2/c27-12-3-5-14(15(28)8-12)23(38)36(25-34-16-6-4-13(32)9-20(16)41-25)24(39)18-11-22-33-17(19-2-1-7-40-19)10-21(26(29,30)31)37(22)35-18/h1-11H,32H2

InChI Key

UUCHCYCTPDGWMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

6.289

Water Solubility, LogSw

-6.42

Polar Surface Area

77.824

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

K061-0052 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K061-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0052?
Check Price and Availability of K061-0052, 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 K061-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0052
  • 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 K061-0052 available by request