SB74-0444 Screening compound: (3S,5R)-N-[2-(1-BENZYL-4-PIPERIDYL)ETHYL]-7-ISOBUTYRYL-1-OXO-2,7-DIAZASPIRO[4.4]NONANE-3-CARBOXAMIDE

SB74-0444 Screening compound: (3S,5R)-N-[2-(1-BENZYL-4-PIPERIDYL)ETHYL]-7-ISOBUTYRYL-1-OXO-2,7-DIAZASPIRO[4.4]NONANE-3-CARBOXAMIDE
SB74-0444 Screening compound: (3S,5R)-N-[2-(1-BENZYL-4-PIPERIDYL)ETHYL]-7-ISOBUTYRYL-1-OXO-2,7-DIAZASPIRO[4.4]NONANE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound SB74-0444
(3S,5R)-N-[2-(1-BENZYL-4-PIPERIDYL)ETHYL]-7-ISOBUTYRYL-1-OXO-2,7-DIAZASPIRO[4.4]NONANE-3-CARBOXAMIDE

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

SB74-0444

Molecular Formula

C26H38N4O3 (C26 H38 N4 O3)

Compound Name

(3S,5R)-N-[2-(1-BENZYL-4-PIPERIDYL)ETHYL]-7-ISOBUTYRYL-1-OXO-2,7-DIAZASPIRO[4.4]NONANE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)C(N(CC1)C[C@@]1(C[C@@H](C(NCCC1CCN(Cc2ccccc2)CC1)=O)N1)C1=O)=O

InChI

InChI=1S/C26H38N4O3/c1-19(2)24(32)30-15-11-26(18-30)16-22(28-25(26)33)23(31)27-12-8-20-9-13-29(14-10-20)17-21-6-4-3-5-7-21/h3-7,19-20,22H,8-18H2,1-2H3,(H,27,31)(H,28,33)/t22-,26-/m1/s1

InChI Key

AEZGFIJLFRPLFS-ATIYNZHBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

0.986

Water Solubility, LogSw

-2.38

Polar Surface Area

71.243

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.40

SB74-0444 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB74-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB74-0444?
Check Price and Availability of SB74-0444, 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 SB74-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB74-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB74-0444
  • 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 SB74-0444 available by request