K061-0261 Screening compound: 3-chloro-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K061-0261
3-chloro-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K061-0261

Molecular Formula

C₃₀H₂₂Cl₂F₃N₅O₄S (C30 H22 Cl2 F3 N5 O4 S)

Compound Name

3-chloro-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-chloro-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Cl)=O)cc(Oc(cc2)c(C3CCCCC3)cc2Cl)c1)=O

InChI

InChI=1S/C30H22Cl2F3N5O4S/c31-17-8-9-23(21(11-17)16-5-2-1-3-6-16)44-20-13-18(12-19(14-20)40(42)43)36-29(41)27-26(32)28-37-22(24-7-4-10-45-24)15-25(30(33,34)35)39(28)38-27/h4,7-16H,1-3,5-6H2,(H,36,41)

InChI Key

UOBJMBZZBSQVRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

9.480

Distribution Coefficient, logD

9.458

Water Solubility, LogSw

-6.87

Polar Surface Area

83.960

Acid Dissociation Constant (pK_a)

8.69

Base Dissociation Constant (pK_b)

0.67

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

23.30

K061-0261 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:

Cardiovascular
Metabolic
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cancer
Nervous system
Hemic and lymphatic
Endocrine
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

Epigenetic

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with K061-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0261?
Check Price and Availability of K061-0261, 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 K061-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K061-0261
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K061-0261

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 K061-0261 available by request