SA96-1045 Screening compound: 6-benzyl-N-isobutyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1045 Screening compound: 6-benzyl-N-isobutyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1045 Screening compound: 6-benzyl-N-isobutyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1045
6-benzyl-N-isobutyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.4]octane-8-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

SA96-1045

Molecular Formula

C23H32N4OS (C23 H32 N4 OS)

Compound Name

6-benzyl-N-isobutyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-2-[(4-methyl-13-thiazol-5-yl)methyl]-N-(2-methylpropyl)-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

CC(C)CNC(C1C2(CN(Cc3c(C)ncs3)C2)CN(Cc2ccccc2)C1)=O

InChI

InChI=1S/C23H32N4OS/c1-17(2)9-24-22(28)20-11-26(10-19-7-5-4-6-8-19)13-23(20)14-27(15-23)12-21-18(3)25-16-29-21/h4-8,16-17,20H,9-15H2,1-3H3,(H,24,28)/t20-/m1/s1

InChI Key

NQPHAWMURDSSAP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32244843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

-1.940

Water Solubility, LogSw

-3.03

Polar Surface Area

42.753

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

12.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SA96-1045 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA96-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1045?
Check Price and Availability of SA96-1045, 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 SA96-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1045
  • 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 SA96-1045 available by request