8014-5331 Screening compound: 7-(4-fluorophenethyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

8014-5331 Screening compound: 7-(4-fluorophenethyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
8014-5331 Screening compound: 7-(4-fluorophenethyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5331
7-(4-fluorophenethyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

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

8014-5331

Molecular Formula

C26H20FN3O (C26 H20 FN3 O)

Compound Name

7-(4-fluorophenethyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

IUPAC name

7-[2-(4-fluorophenyl)ethyl]-56-diphenyl-7H-pyrrolo[23-d]pyrimidin-4-ol

SMILES

Oc1c(c(-c2ccccc2)c(-c2ccccc2)n2CCc(cc3)ccc3F)c2ncn1

InChI

InChI=1S/C26H20FN3O/c27-21-13-11-18(12-14-21)15-16-30-24(20-9-5-2-6-10-20)22(19-7-3-1-4-8-19)23-25(30)28-17-29-26(23)31/h1-14,17H,15-16H2,(H,28,29,31)

InChI Key

BSHKZIFFOPFZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03489392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.69

Polar Surface Area

37.533

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8014-5331 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8014-5331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5331?
Check Price and Availability of 8014-5331, 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 8014-5331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5331
  • 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 8014-5331 available by request