S787-1909 Screening compound: ethyl 2-({4-[(4-{2-[(cyclopropylmethyl)carbamoyl]ethyl}phenyl)methyl]piperidine-1-carbonyl}amino)acetate

S787-1909 Screening compound: ethyl 2-({4-[(4-{2-[(cyclopropylmethyl)carbamoyl]ethyl}phenyl)methyl]piperidine-1-carbonyl}amino)acetate
S787-1909 Screening compound: ethyl 2-({4-[(4-{2-[(cyclopropylmethyl)carbamoyl]ethyl}phenyl)methyl]piperidine-1-carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1909
ethyl 2-({4-[(4-{2-[(cyclopropylmethyl)carbamoyl]ethyl}phenyl)methyl]piperidine-1-carbonyl}amino)acetate

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

S787-1909

Molecular Formula

C24H35N3O4 (C24 H35 N3 O4)

Compound Name

ethyl 2-({4-[(4-{2-[(cyclopropylmethyl)carbamoyl]ethyl}phenyl)methyl]piperidine-1-carbonyl}amino)acetate

IUPAC name

ethyl 2-({4-[(4-{2-[(cyclopropylmethyl)carbamoyl]ethyl}phenyl)methyl]piperidine-1-carbonyl}amino)acetate

SMILES

CCOC(CNC(N1CCC(Cc2ccc(CCC(NCC3CC3)=O)cc2)CC1)=O)=O

InChI

InChI=1S/C24H35N3O4/c1-2-31-23(29)17-26-24(30)27-13-11-20(12-14-27)15-19-5-3-18(4-6-19)9-10-22(28)25-16-21-7-8-21/h3-6,20-21H,2,7-17H2,1H3,(H,25,28)(H,26,30)

InChI Key

IVAKUYQICFERPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.18

Polar Surface Area

71.911

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

S787-1909 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 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 S787-1909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1909?
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What is the minimum amount of S787-1909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1909
  • 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 S787-1909 available by request