F898-1717 Screening compound: 2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

F898-1717 Screening compound: 2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
F898-1717 Screening compound: 2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F898-1717
2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

F898-1717

Molecular Formula

C24H32N4O4S (C24 H32 N4 O4 S)

Compound Name

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

IUPAC name

2-[N-methyl5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

CN(CC(NC(CCC1)c2c1cccc2)=O)S(c1c[nH]c(C(N2CCCCCC2)=O)c1)(=O)=O

InChI

InChI=1S/C24H32N4O4S/c1-27(17-23(29)26-21-12-8-10-18-9-4-5-11-20(18)21)33(31,32)19-15-22(25-16-19)24(30)28-13-6-2-3-7-14-28/h4-5,9,11,15-16,21,25H,2-3,6-8,10,12-14,17H2,1H3,(H,26,29)/t21-/m0/s1

InChI Key

IMJCDHJWFMQCMM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27203195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

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

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.54

Polar Surface Area

84.253

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

F898-1717 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 F898-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F898-1717?
Check Price and Availability of F898-1717, 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 F898-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F898-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F898-1717
  • 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 F898-1717 available by request