K405-0095 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

K405-0095 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
K405-0095 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0095
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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

K405-0095

Molecular Formula

C26H19ClN4O2 (C26 H19 ClN4 O2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

Clc(cc1)ccc1-n1c2ncnc(NCc(cc3)cc4c3OCO4)c2c(-c2ccccc2)c1

InChI

InChI=1S/C26H19ClN4O2/c27-19-7-9-20(10-8-19)31-14-21(18-4-2-1-3-5-18)24-25(29-15-30-26(24)31)28-13-17-6-11-22-23(12-17)33-16-32-22/h1-12,14-15H,13,16H2,(H,28,29,30)

InChI Key

UKIZVOVOTIZFKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-6.39

Polar Surface Area

50.817

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

K405-0095 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K405-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0095?
Check Price and Availability of K405-0095, 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 K405-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0095
  • 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 K405-0095 available by request