SA97-0004 Screening compound: N-({1'-cyclobutanecarbonyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidin]-3-yl}methyl)acetamide

SA97-0004 Screening compound: N-({1'-cyclobutanecarbonyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidin]-3-yl}methyl)acetamide
SA97-0004 Screening compound: N-({1'-cyclobutanecarbonyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidin]-3-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA97-0004
N-({1'-cyclobutanecarbonyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidin]-3-yl}methyl)acetamide

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

SA97-0004

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

N-({1'-cyclobutanecarbonyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidin]-3-yl}methyl)acetamide

IUPAC name

N-({1'-cyclobutanecarbonyl-34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl}methyl)acetamide

SMILES

CC(NCC(C1)OC(CC2)(CCN2C(C2CCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C21H28N2O3/c1-15(24)22-14-18-13-17-5-2-3-8-19(17)21(26-18)9-11-23(12-10-21)20(25)16-6-4-7-16/h2-3,5,8,16,18H,4,6-7,9-14H2,1H3,(H,22,24)/t18-/m1/s1

InChI Key

JQMYLDMNSMBOCT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32243420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.407

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-2.12

Polar Surface Area

48.298

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA97-0004 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 SA97-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA97-0004?
Check Price and Availability of SA97-0004, 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 SA97-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA97-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA97-0004
  • 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 SA97-0004 available by request