D447-0354 Screening compound: 1-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azepane

D447-0354 Screening compound: 1-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azepane
D447-0354 Screening compound: 1-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D447-0354
1-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azepane

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

D447-0354

Molecular Formula

C25H26N4 (C25 H26 N4)

Compound Name

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

IUPAC name

1-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]azepane

SMILES

Cc(cccc1)c1-n(cc1-c2ccccc2)c2c1c(N1CCCCCC1)ncn2

InChI

InChI=1S/C25H26N4/c1-19-11-7-8-14-22(19)29-17-21(20-12-5-4-6-13-20)23-24(26-18-27-25(23)29)28-15-9-2-3-10-16-28/h4-8,11-14,17-18H,2-3,9-10,15-16H2,1H3

InChI Key

GZLQLEVLYZFTBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.506

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-6.10

Polar Surface Area

26.242

Acid Dissociation Constant (pKa)

22.74

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D447-0354 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D447-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D447-0354?
Check Price and Availability of D447-0354, 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 D447-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D447-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D447-0354
  • 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 D447-0354 available by request