F899-1648 Screening compound: 1-(4-{[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-2-carbonyl)azepane

F899-1648 Screening compound: 1-(4-{[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-2-carbonyl)azepane
F899-1648 Screening compound: 1-(4-{[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-2-carbonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound F899-1648
1-(4-{[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-2-carbonyl)azepane

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

F899-1648

Molecular Formula

C21H32N4O4S (C21 H32 N4 O4 S)

Compound Name

1-(4-{[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-2-carbonyl)azepane

IUPAC name

1-(4-{[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-2-carbonyl)azepane

SMILES

O=C(C(CCC1)CN1S(c1c[nH]c(C(N2CCCCCC2)=O)c1)(=O)=O)N1CCCC1

InChI

InChI=1S/C21H32N4O4S/c26-20(23-11-5-6-12-23)17-8-7-13-25(16-17)30(28,29)18-14-19(22-15-18)21(27)24-9-3-1-2-4-10-24/h14-15,17,22H,1-13,16H2/t17-/m0/s1

InChI Key

JECUOQXDJPLGHQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27203336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.54

Polar Surface Area

76.032

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

F899-1648 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F899-1648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F899-1648?
Check Price and Availability of F899-1648, 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 F899-1648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F899-1648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F899-1648
  • 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 F899-1648 available by request