D447-0332 Screening compound: N-(4-ethoxyphenyl)-7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

D447-0332 Screening compound: N-(4-ethoxyphenyl)-7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
D447-0332 Screening compound: N-(4-ethoxyphenyl)-7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D447-0332
N-(4-ethoxyphenyl)-7-(2-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

D447-0332

Molecular Formula

C27H24N4O (C27 H24 N4 O)

Compound Name

N-(4-ethoxyphenyl)-7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

IUPAC name

N-(4-ethoxyphenyl)-7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

CCOc(cc1)ccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1c(C)cccc1

InChI

InChI=1S/C27H24N4O/c1-3-32-22-15-13-21(14-16-22)30-26-25-23(20-10-5-4-6-11-20)17-31(27(25)29-18-28-26)24-12-8-7-9-19(24)2/h4-18H,3H2,1-2H3,(H,28,29,30)

InChI Key

NLRMCFQWIURMQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.682

Distribution Coefficient, logD

6.665

Water Solubility, LogSw

-6.05

Polar Surface Area

39.202

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D447-0332 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 D447-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D447-0332?
Check Price and Availability of D447-0332, 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 D447-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D447-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D447-0332
  • 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 D447-0332 available by request