S731-1298 Screening compound: 1-[2-(3-fluorophenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

S731-1298 Screening compound: 1-[2-(3-fluorophenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one
S731-1298 Screening compound: 1-[2-(3-fluorophenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S731-1298
1-[2-(3-fluorophenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

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

S731-1298

Molecular Formula

C30H38FN5O3 (C30 H38 FN5 O3)

Compound Name

1-[2-(3-fluorophenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR11R12aS)-1-[2-(3-fluorophenyl)acetyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]15-diazacycloundecan-9-one

SMILES

O=C(Cc1cccc(F)c1)N(CCCCCCN1)[C@@H](C[C@@H](C2)C(N(CC3)CCN3c3ncccc3)=O)[C@@H]2C1=O

InChI

InChI=1S/C30H38FN5O3/c31-24-9-7-8-22(18-24)19-28(37)36-13-6-2-1-4-12-33-29(38)25-20-23(21-26(25)36)30(39)35-16-14-34(15-17-35)27-10-3-5-11-32-27/h3,5,7-11,18,23,25-26H,1-2,4,6,12-17,19-21H2,(H,33,38)/t23-,25+,26-/m0/s1

InChI Key

UPMZATLENSCDED-DMDYGQEQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.40

Polar Surface Area

69.767

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.33

S731-1298 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S731-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S731-1298?
Check Price and Availability of S731-1298, 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 S731-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S731-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S731-1298
  • 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 S731-1298 available by request