K405-0959 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

K405-0959 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
K405-0959 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0959
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-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

K405-0959

Molecular Formula

C27H21ClN4O2 (C27 H21 ClN4 O2)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

Cc(ccc(-n1c2ncnc(NCc(cc3)cc4c3OCO4)c2c(-c2ccccc2)c1)c1)c1Cl

InChI

InChI=1S/C27H21ClN4O2/c1-17-7-9-20(12-22(17)28)32-14-21(19-5-3-2-4-6-19)25-26(30-15-31-27(25)32)29-13-18-8-10-23-24(11-18)34-16-33-23/h2-12,14-15H,13,16H2,1H3,(H,29,30,31)

InChI Key

ZKUQNXXCKLJREB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

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

6.661

Distribution Coefficient, logD

6.624

Water Solubility, LogSw

-6.36

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

11.10

K405-0959 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K405-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0959?
Check Price and Availability of K405-0959, 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 K405-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0959
  • 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 K405-0959 available by request