SB39-0776 Screening compound: N-{10-[(4-ethylphenyl)sulfonyl]-7-oxo-6,10-diazaspiro[4.6]undec-8-yl}-2-methylpropanamide

SB39-0776 Screening compound: N-{10-[(4-ethylphenyl)sulfonyl]-7-oxo-6,10-diazaspiro[4.6]undec-8-yl}-2-methylpropanamide
SB39-0776 Screening compound: N-{10-[(4-ethylphenyl)sulfonyl]-7-oxo-6,10-diazaspiro[4.6]undec-8-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0776
N-{10-[(4-ethylphenyl)sulfonyl]-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

SB39-0776

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

N-{10-[(4-ethylphenyl)sulfonyl]-7-oxo-6,10-diazaspiro[4.6]undec-8-yl}-2-methylpropanamide

IUPAC name

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

SMILES

CCc(cc1)ccc1S(N(CC1NC(C(C)C)=O)CC2(CCCC2)NC1=O)(=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-4-16-7-9-17(10-8-16)29(27,28)24-13-18(22-19(25)15(2)3)20(26)23-21(14-24)11-5-6-12-21/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1

InChI Key

HWHLMGVXRHHKPI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32247708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.15

Polar Surface Area

82.640

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SB39-0776 in Drug Discovery

Included in Screening Libraries

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 SB39-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0776?
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What is the minimum amount of SB39-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0776
  • 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 SB39-0776 available by request