F841-0993 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide

F841-0993 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
F841-0993 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F841-0993
2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)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

F841-0993

Molecular Formula

C29H26N4O3S (C29 H26 N4 O3 S)

Compound Name

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

IUPAC name

2-({3-benzyl-4-oxo-6-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide

SMILES

Cc(cc1)cc(NC(CSC(N(Cc2ccccc2)C2=O)=Nc3c2[nH]c(-c2ccccc2)c3)=O)c1OC

InChI

InChI=1S/C29H26N4O3S/c1-19-13-14-25(36-2)23(15-19)30-26(34)18-37-29-32-24-16-22(21-11-7-4-8-12-21)31-27(24)28(35)33(29)17-20-9-5-3-6-10-20/h3-16,31H,17-18H2,1-2H3,(H,30,34)

InChI Key

QEHMTZLOYJAMGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-4.99

Polar Surface Area

66.077

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

F841-0993 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 F841-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F841-0993?
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What is the minimum amount of F841-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F841-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F841-0993
  • 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 F841-0993 available by request