K405-1184 Screening compound: 3-methyl-1-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine

K405-1184 Screening compound: 3-methyl-1-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine
K405-1184 Screening compound: 3-methyl-1-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-1184
3-methyl-1-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine

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

K405-1184

Molecular Formula

C25H23F3N4 (C25 H23 F3 N4)

Compound Name

3-methyl-1-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine

IUPAC name

3-methyl-1-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[23-d]pyrimidin-4-yl}piperidine

SMILES

CC(CCC1)CN1c1c(c(-c2ccccc2)cn2-c3cccc(C(F)(F)F)c3)c2ncn1

InChI

InChI=1S/C25H23F3N4/c1-17-7-6-12-31(14-17)23-22-21(18-8-3-2-4-9-18)15-32(24(22)30-16-29-23)20-11-5-10-19(13-20)25(26,27)28/h2-5,8-11,13,15-17H,6-7,12,14H2,1H3/t17-/m0/s1

InChI Key

LREAWDATUSGTAY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04451155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.567

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-6.29

Polar Surface Area

26.146

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

K405-1184 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 K405-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-1184?
Check Price and Availability of K405-1184, 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 K405-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-1184
  • 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 K405-1184 available by request