F898-1694 Screening compound: N-(3,5-dimethylphenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide

F898-1694 Screening compound: N-(3,5-dimethylphenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide
F898-1694 Screening compound: N-(3,5-dimethylphenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F898-1694
N-(3,5-dimethylphenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]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

F898-1694

Molecular Formula

C22H30N4O4S (C22 H30 N4 O4 S)

Compound Name

N-(3,5-dimethylphenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide

IUPAC name

N-(35-dimethylphenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide

SMILES

Cc1cc(NC(CN(C)S(c2c[nH]c(C(N3CCCCCC3)=O)c2)(=O)=O)=O)cc(C)c1

InChI

InChI=1S/C22H30N4O4S/c1-16-10-17(2)12-18(11-16)24-21(27)15-25(3)31(29,30)19-13-20(23-14-19)22(28)26-8-6-4-5-7-9-26/h10-14,23H,4-9,15H2,1-3H3,(H,24,27)

InChI Key

APUBUKZFKQBQFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.50

Polar Surface Area

83.087

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F898-1694 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F898-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F898-1694?
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What is the minimum amount of F898-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F898-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F898-1694
  • 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 F898-1694 available by request