SB74-0872 Screening compound: (3S,5R)-N~3~-(4-ethylbenzyl)-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

SB74-0872 Screening compound: (3S,5R)-N~3~-(4-ethylbenzyl)-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide
SB74-0872 Screening compound: (3S,5R)-N~3~-(4-ethylbenzyl)-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB74-0872
(3S,5R)-N~3~-(4-ethylbenzyl)-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-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

SB74-0872

Molecular Formula

C18H25N3O4S (C18 H25 N3 O4 S)

Compound Name

(3S,5R)-N~3~-(4-ethylbenzyl)-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

IUPAC name

(3S5R)-N-[(4-ethylphenyl)methyl]-7-methanesulfonyl-1-oxo-27-diazaspiro[4.4]nonane-3-carboxamide

SMILES

CCc1ccc(CNC([C@H](C[C@]2(CC3)CN3S(C)(=O)=O)NC2=O)=O)cc1

InChI

InChI=1S/C18H25N3O4S/c1-3-13-4-6-14(7-5-13)11-19-16(22)15-10-18(17(23)20-15)8-9-21(12-18)26(2,24)25/h4-7,15H,3,8-12H2,1-2H3,(H,19,22)(H,20,23)/t15-,18-/m1/s1

InChI Key

YVHBWYONIKVDAC-CRAIPNDOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

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

0.729

Distribution Coefficient, logD

0.729

Water Solubility, LogSw

-2.36

Polar Surface Area

82.224

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB74-0872 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB74-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB74-0872?
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What is the minimum amount of SB74-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB74-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB74-0872
  • 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 SB74-0872 available by request