K405-2017 Screening compound: 1-benzyl-4-[7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine

K405-2017 Screening compound: 1-benzyl-4-[7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine
K405-2017 Screening compound: 1-benzyl-4-[7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-2017
1-benzyl-4-[7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine

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

K405-2017

Molecular Formula

C30H29N5 (C30 H29 N5)

Compound Name

1-benzyl-4-[7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine

IUPAC name

1-benzyl-4-[7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]piperazine

SMILES

Cc(cc1)ccc1-n(cc1-c2ccccc2)c2c1c(N1CCN(Cc3ccccc3)CC1)ncn2

InChI

InChI=1S/C30H29N5/c1-23-12-14-26(15-13-23)35-21-27(25-10-6-3-7-11-25)28-29(31-22-32-30(28)35)34-18-16-33(17-19-34)20-24-8-4-2-5-9-24/h2-15,21-22H,16-20H2,1H3

InChI Key

PHOXNOFTSKQFKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.391

Distribution Coefficient, logD

6.283

Water Solubility, LogSw

-6.21

Polar Surface Area

29.753

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K405-2017 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K405-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-2017?
Check Price and Availability of K405-2017, 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 K405-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-2017
  • 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 K405-2017 available by request