F898-1631 Screening compound: N-(4-fluorophenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide

F898-1631 Screening compound: N-(4-fluorophenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide
F898-1631 Screening compound: N-(4-fluorophenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F898-1631
N-(4-fluorophenyl)-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

F898-1631

Molecular Formula

C20H25FN4O4S (C20 H25 FN4 O4 S)

Compound Name

N-(4-fluorophenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide

IUPAC name

N-(4-fluorophenyl)-2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]acetamide

SMILES

CN(CC(Nc(cc1)ccc1F)=O)S(c1c[nH]c(C(N2CCCCCC2)=O)c1)(=O)=O

InChI

InChI=1S/C20H25FN4O4S/c1-24(14-19(26)23-16-8-6-15(21)7-9-16)30(28,29)17-12-18(22-13-17)20(27)25-10-4-2-3-5-11-25/h6-9,12-13,22H,2-5,10-11,14H2,1H3,(H,23,26)

InChI Key

CBMRWDCGEHXWTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

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

2.599

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.04

Polar Surface Area

83.087

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F898-1631 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 F898-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F898-1631?
Check Price and Availability of F898-1631, 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 F898-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F898-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F898-1631
  • 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 F898-1631 available by request