D447-0041 Screening compound: N-benzyl-N-methyl-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

D447-0041 Screening compound: N-benzyl-N-methyl-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
D447-0041 Screening compound: N-benzyl-N-methyl-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D447-0041
N-benzyl-N-methyl-5,7-diphenyl-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

D447-0041

Molecular Formula

C26H22N4 (C26 H22 N4)

Compound Name

N-benzyl-N-methyl-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

IUPAC name

N-benzyl-N-methyl-57-diphenyl-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1

InChI

InChI=1S/C26H22N4/c1-29(17-20-11-5-2-6-12-20)25-24-23(21-13-7-3-8-14-21)18-30(26(24)28-19-27-25)22-15-9-4-10-16-22/h2-16,18-19H,17H2,1H3

InChI Key

HWUPDCSRUKOKRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06735851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.053

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-6.12

Polar Surface Area

25.714

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D447-0041 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D447-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D447-0041?
Check Price and Availability of D447-0041, 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 D447-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D447-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D447-0041
  • 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 D447-0041 available by request