F841-0981 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

F841-0981 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
F841-0981 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F841-0981
2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

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

F841-0981

Molecular Formula

C27H20F2N4O2S (C27 H20 F2 N4 O2 S)

Compound Name

2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

IUPAC name

2-({3-benzyl-4-oxo-6-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl}sulfanyl)-N-(24-difluorophenyl)acetamide

SMILES

O=C(CSC(N(Cc1ccccc1)C1=O)=Nc2c1[nH]c(-c1ccccc1)c2)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C27H20F2N4O2S/c28-19-11-12-21(20(29)13-19)30-24(34)16-36-27-32-23-14-22(18-9-5-2-6-10-18)31-25(23)26(35)33(27)15-17-7-3-1-4-8-17/h1-14,31H,15-16H2,(H,30,34)

InChI Key

GARFSODSEWZAQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-5.39

Polar Surface Area

58.446

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

F841-0981 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 F841-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F841-0981?
Check Price and Availability of F841-0981, 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 F841-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F841-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F841-0981
  • 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 F841-0981 available by request