K405-0757 Screening compound: N,N-diethyl-1-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

K405-0757 Screening compound: N,N-diethyl-1-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
K405-0757 Screening compound: N,N-diethyl-1-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0757
N,N-diethyl-1-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

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

K405-0757

Molecular Formula

C28H30FN5O (C28 H30 FN5 O)

Compound Name

N,N-diethyl-1-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

IUPAC name

NN-diethyl-1-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]piperidine-3-carboxamide

SMILES

CCN(CC)C(C(CCC1)CN1c1c(c(-c2ccccc2)cn2-c(cc3)ccc3F)c2ncn1)=O

InChI

InChI=1S/C28H30FN5O/c1-3-32(4-2)28(35)21-11-8-16-33(17-21)26-25-24(20-9-6-5-7-10-20)18-34(27(25)31-19-30-26)23-14-12-22(29)13-15-23/h5-7,9-10,12-15,18-19,21H,3-4,8,11,16-17H2,1-2H3/t21-/m0/s1

InChI Key

OFWIFLCWXDUZFF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04451028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.02

Polar Surface Area

42.078

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

K405-0757 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K405-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0757?
Check Price and Availability of K405-0757, 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 K405-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0757
  • 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 K405-0757 available by request