SB39-0435 Screening compound: 2-ethyl-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]butanamide

SB39-0435 Screening compound: 2-ethyl-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]butanamide
SB39-0435 Screening compound: 2-ethyl-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0435
2-ethyl-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]butanamide

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

SB39-0435

Molecular Formula

C17H31N3O4S (C17 H31 N3 O4 S)

Compound Name

2-ethyl-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]butanamide

IUPAC name

N-[10-(ethanesulfonyl)-7-oxo-610-diazaspiro[4.6]undecan-8-yl]-2-ethylbutanamide

SMILES

CCC(CC)C(NC(CN(CC1(CCCC1)N1)S(CC)(=O)=O)C1=O)=O

InChI

InChI=1S/C17H31N3O4S/c1-4-13(5-2)15(21)18-14-11-20(25(23,24)6-3)12-17(19-16(14)22)9-7-8-10-17/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m0/s1

InChI Key

SAJPLSISRHMCSK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32247661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.031

Distribution Coefficient, logD

1.031

Water Solubility, LogSw

-2.10

Polar Surface Area

82.805

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.24

SB39-0435 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB39-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0435?
Check Price and Availability of SB39-0435, 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 SB39-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0435
  • 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 SB39-0435 available by request