K061-0799 Screening compound: 2,4-dimethyl 5-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

K061-0799 Screening compound: 2,4-dimethyl 5-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate
K061-0799 Screening compound: 2,4-dimethyl 5-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0799
2,4-dimethyl 5-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

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

K061-0799

Molecular Formula

C23H16BrF3N4O5S (C23 H16 BrF3 N4 O5 S)

Compound Name

2,4-dimethyl 5-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 5-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-3-methylthiophene-24-dicarboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2)=O)c1C(OC)=O

InChI

InChI=1S/C23H16BrF3N4O5S/c1-10-17(21(33)35-2)20(37-18(10)22(34)36-3)29-19(32)14-9-16-28-13(11-4-6-12(24)7-5-11)8-15(23(25,26)27)31(16)30-14/h4-9H,1-3H3,(H,29,32)

InChI Key

BNXSKLFCGOGJLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01450741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-5.62

Polar Surface Area

83.631

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K061-0799 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K061-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0799?
Check Price and Availability of K061-0799, 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 K061-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0799
  • 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 K061-0799 available by request