K405-0882 Screening compound: 2,6-dimethyl-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}morpholine

K405-0882 Screening compound: 2,6-dimethyl-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}morpholine
K405-0882 Screening compound: 2,6-dimethyl-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0882
2,6-dimethyl-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}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

K405-0882

Molecular Formula

C25H23F3N4O (C25 H23 F3 N4 O)

Compound Name

2,6-dimethyl-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}morpholine

IUPAC name

26-dimethyl-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[23-d]pyrimidin-4-yl}morpholine

SMILES

CC(C1)OC(C)CN1c1c(c(-c2ccccc2)cn2-c3cccc(C(F)(F)F)c3)c2ncn1

InChI

InChI=1S/C25H23F3N4O/c1-16-12-31(13-17(2)33-16)23-22-21(18-7-4-3-5-8-18)14-32(24(22)30-15-29-23)20-10-6-9-19(11-20)25(26,27)28/h3-11,14-17H,12-13H2,1-2H3

InChI Key

HSUABKKUDBTEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.91

Polar Surface Area

33.145

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

K405-0882 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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 K405-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0882?
Check Price and Availability of K405-0882, 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 K405-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0882
  • 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 K405-0882 available by request