S610-0991 Screening compound: methyl 2-({2-[(4-methoxyphenyl)methyl]-1-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)-3-methylbutanoate

S610-0991 Screening compound: methyl 2-({2-[(4-methoxyphenyl)methyl]-1-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)-3-methylbutanoate
S610-0991 Screening compound: methyl 2-({2-[(4-methoxyphenyl)methyl]-1-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S610-0991
methyl 2-({2-[(4-methoxyphenyl)methyl]-1-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl}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

S610-0991

Molecular Formula

C22H31N3O5 (C22 H31 N3 O5)

Compound Name

methyl 2-({2-[(4-methoxyphenyl)methyl]-1-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)-3-methylbutanoate

IUPAC name

methyl 2-({2-[(4-methoxyphenyl)methyl]-1-oxo-27-diazaspiro[3.5]nonane-7-carbonyl}amino)-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NC(N(CC1)CCC1(CN1Cc(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C22H31N3O5/c1-15(2)18(19(26)30-4)23-21(28)24-11-9-22(10-12-24)14-25(20(22)27)13-16-5-7-17(29-3)8-6-16/h5-8,15,18H,9-14H2,1-4H3,(H,23,28)/t18-/m0/s1

InChI Key

XDUIVZDTKQXNKQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31983910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.61

Polar Surface Area

71.982

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S610-0991 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S610-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S610-0991?
Check Price and Availability of S610-0991, 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 S610-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S610-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S610-0991
  • 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 S610-0991 available by request