SB74-0496 Screening compound: (3S,5R)-3-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}-7-isobutyryl-2,7-diazaspiro[4.4]nonan-1-one

SB74-0496 Screening compound: (3S,5R)-3-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}-7-isobutyryl-2,7-diazaspiro[4.4]nonan-1-one
SB74-0496 Screening compound: (3S,5R)-3-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}-7-isobutyryl-2,7-diazaspiro[4.4]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB74-0496
(3S,5R)-3-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}-7-isobutyryl-2,7-diazaspiro[4.4]nonan-1-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

SB74-0496

Molecular Formula

C24H34N4O3 (C24 H34 N4 O3)

Compound Name

(3S,5R)-3-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}-7-isobutyryl-2,7-diazaspiro[4.4]nonan-1-one

IUPAC name

(3S5R)-3-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-7-(2-methylpropanoyl)-27-diazaspiro[4.4]nonan-1-one

SMILES

CC(C)C(N(CC1)C[C@@]1(C[C@@H](C(N(CC1)CCN1c1c(C)c(C)ccc1)=O)N1)C1=O)=O

InChI

InChI=1S/C24H34N4O3/c1-16(2)21(29)28-9-8-24(15-28)14-19(25-23(24)31)22(30)27-12-10-26(11-13-27)20-7-5-6-17(3)18(20)4/h5-7,16,19H,8-15H2,1-4H3,(H,25,31)/t19-,24-/m1/s1

InChI Key

AATYGOKHVMWOIG-NTKDMRAZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.56

Polar Surface Area

62.863

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

SB74-0496 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB74-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB74-0496?
Check Price and Availability of SB74-0496, 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 SB74-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB74-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB74-0496
  • 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 SB74-0496 available by request