5531-8207 Screening compound: 7-[(4-fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol

5531-8207 Screening compound: 7-[(4-fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol
5531-8207 Screening compound: 7-[(4-fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5531-8207
7-[(4-fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)-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

5531-8207

Molecular Formula

C27H22FN3O3 (C27 H22 FN3 O3)

Compound Name

7-[(4-fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol

IUPAC name

7-[(4-fluorophenyl)methyl]-56-bis(4-methoxyphenyl)-7H-pyrrolo[23-d]pyrimidin-4-ol

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)n(Cc(cc2)ccc2F)c2ncnc(O)c12

InChI

InChI=1S/C27H22FN3O3/c1-33-21-11-5-18(6-12-21)23-24-26(29-16-30-27(24)32)31(15-17-3-9-20(28)10-4-17)25(23)19-7-13-22(34-2)14-8-19/h3-14,16H,15H2,1-2H3,(H,29,30,32)

InChI Key

GPVVGRAESYGPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03489384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.301

Distribution Coefficient, logD

5.274

Water Solubility, LogSw

-5.66

Polar Surface Area

52.642

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5531-8207 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antifungal Library (16415 compounds)

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

CORONAVIRUS Library (20774 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5531-8207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5531-8207?
Check Price and Availability of 5531-8207, 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 5531-8207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5531-8207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5531-8207
  • 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 5531-8207 available by request