S688-2835 Screening compound: methyl 2-({[1-(ethylcarbamoyl)-4-(2-methoxyethyl)piperidin-4-yl]carbamoyl}amino)-3-methylbutanoate

S688-2835 Screening compound: methyl 2-({[1-(ethylcarbamoyl)-4-(2-methoxyethyl)piperidin-4-yl]carbamoyl}amino)-3-methylbutanoate
S688-2835 Screening compound: methyl 2-({[1-(ethylcarbamoyl)-4-(2-methoxyethyl)piperidin-4-yl]carbamoyl}amino)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-2835
methyl 2-({[1-(ethylcarbamoyl)-4-(2-methoxyethyl)piperidin-4-yl]carbamoyl}amino)-3-methylbutanoate

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

S688-2835

Molecular Formula

C18H34N4O5 (C18 H34 N4 O5)

Compound Name

methyl 2-({[1-(ethylcarbamoyl)-4-(2-methoxyethyl)piperidin-4-yl]carbamoyl}amino)-3-methylbutanoate

IUPAC name

methyl 2-({[1-(ethylcarbamoyl)-4-(2-methoxyethyl)piperidin-4-yl]carbamoyl}amino)-3-methylbutanoate

SMILES

CCNC(N(CC1)CCC1(CCOC)NC(NC(C(C)C)C(OC)=O)=O)=O

InChI

InChI=1S/C18H34N4O5/c1-6-19-17(25)22-10-7-18(8-11-22,9-12-26-4)21-16(24)20-14(13(2)3)15(23)27-5/h13-14H,6-12H2,1-5H3,(H,19,25)(H2,20,21,24)/t14-/m0/s1

InChI Key

VMIPVJQLFLCLOK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32225334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.886

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-1.79

Polar Surface Area

90.864

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

S688-2835 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S688-2835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-2835?
Check Price and Availability of S688-2835, 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 S688-2835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-2835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-2835
  • 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 S688-2835 available by request