SB39-0848 Screening compound: N-[10-(3-fluoro-4-methylbenzoyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide

SB39-0848 Screening compound: N-[10-(3-fluoro-4-methylbenzoyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide
SB39-0848 Screening compound: N-[10-(3-fluoro-4-methylbenzoyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0848
N-[10-(3-fluoro-4-methylbenzoyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide

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

SB39-0848

Molecular Formula

C21H28FN3O3 (C21 H28 FN3 O3)

Compound Name

N-[10-(3-fluoro-4-methylbenzoyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-2-methylpropanamide

IUPAC name

N-[10-(3-fluoro-4-methylbenzoyl)-7-oxo-610-diazaspiro[4.6]undecan-8-yl]-2-methylpropanamide

SMILES

CC(C)C(NC(CN(CC1(CCCC1)N1)C(c2cc(F)c(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C21H28FN3O3/c1-13(2)18(26)23-17-11-25(12-21(24-19(17)27)8-4-5-9-21)20(28)15-7-6-14(3)16(22)10-15/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3,(H,23,26)(H,24,27)/t17-/m0/s1

InChI Key

YUFUMHXUAWXREO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32247526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.82

Polar Surface Area

67.577

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SB39-0848 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SB39-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0848?
Check Price and Availability of SB39-0848, 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 SB39-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0848
  • 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 SB39-0848 available by request