K061-0813 Screening compound: 4-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]morpholine

K061-0813 Screening compound: 4-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]morpholine
K061-0813 Screening compound: 4-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0813
4-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]morpholine

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

K061-0813

Molecular Formula

C18H14BrF3N4O2 (C18 H14 BrF3 N4 O2)

Compound Name

4-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]morpholine

IUPAC name

4-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carbonyl]morpholine

SMILES

O=C(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cc1)ccc1Br)N1CCOCC1

InChI

InChI=1S/C18H14BrF3N4O2/c19-12-3-1-11(2-4-12)14-9-15(18(20,21)22)26-16(24-14)13(10-23-26)17(27)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2

InChI Key

WANDXXHDRIBGLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01450723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.94

Polar Surface Area

43.725

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K061-0813 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K061-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0813?
Check Price and Availability of K061-0813, 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 K061-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0813
  • 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 K061-0813 available by request