SB39-0438 Screening compound: N-cyclohexyl-N'-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]urea

SB39-0438 Screening compound: N-cyclohexyl-N'-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]urea
SB39-0438 Screening compound: N-cyclohexyl-N'-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0438
N-cyclohexyl-N'-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]urea

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

SB39-0438

Molecular Formula

C18H32N4O4S (C18 H32 N4 O4 S)

Compound Name

N-cyclohexyl-N'-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]urea

IUPAC name

1-cyclohexyl-3-[10-(ethanesulfonyl)-7-oxo-610-diazaspiro[4.6]undecan-8-yl]urea

SMILES

CCS(N(CC1NC(NC2CCCCC2)=O)CC2(CCCC2)NC1=O)(=O)=O

InChI

InChI=1S/C18H32N4O4S/c1-2-27(25,26)22-12-15(16(23)21-18(13-22)10-6-7-11-18)20-17(24)19-14-8-4-3-5-9-14/h14-15H,2-13H2,1H3,(H,21,23)(H2,19,20,24)/t15-/m0/s1

InChI Key

KXKGUCKJISTOSS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32247664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-2.03

Polar Surface Area

92.793

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.89

SB39-0438 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB39-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0438?
Check Price and Availability of SB39-0438, 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 SB39-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0438
  • 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 SB39-0438 available by request