K061-0975 Screening compound: 2,4-dimethyl 3-methyl-5-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate

K061-0975 Screening compound: 2,4-dimethyl 3-methyl-5-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate
K061-0975 Screening compound: 2,4-dimethyl 3-methyl-5-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0975
2,4-dimethyl 3-methyl-5-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-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

K061-0975

Molecular Formula

C23H16F3N5O7S (C23 H16 F3 N5 O7 S)

Compound Name

2,4-dimethyl 3-methyl-5-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 3-methyl-5-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]thiophene-24-dicarboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4[N+]([O-])=O)nc3c2)=O)c1C(OC)=O

InChI

InChI=1S/C23H16F3N5O7S/c1-10-17(21(33)37-2)20(39-18(10)22(34)38-3)28-19(32)14-9-16-27-13(8-15(23(24,25)26)30(16)29-14)11-4-6-12(7-5-11)31(35)36/h4-9H,1-3H3,(H,28,32)

InChI Key

WBGKACJHMCHWCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-4.81

Polar Surface Area

117.012

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K061-0975 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 K061-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0975?
Check Price and Availability of K061-0975, 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 K061-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0975
  • 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 K061-0975 available by request