SB74-0126 Screening compound: (3S,5R)-N~3~-(2,5-difluorobenzyl)-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

SB74-0126 Screening compound: (3S,5R)-N~3~-(2,5-difluorobenzyl)-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide
SB74-0126 Screening compound: (3S,5R)-N~3~-(2,5-difluorobenzyl)-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB74-0126
(3S,5R)-N~3~-(2,5-difluorobenzyl)-7-isopropyl-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

SB74-0126

Molecular Formula

C18H23F2N3O2 (C18 H23 F2 N3 O2)

Compound Name

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

IUPAC name

(3S5R)-N-[(25-difluorophenyl)methyl]-1-oxo-7-(propan-2-yl)-27-diazaspiro[4.4]nonane-3-carboxamide

SMILES

CC(C)N(CC1)C[C@@]1(C[C@@H](C(NCc(cc(cc1)F)c1F)=O)N1)C1=O

InChI

InChI=1S/C18H23F2N3O2/c1-11(2)23-6-5-18(10-23)8-15(22-17(18)25)16(24)21-9-12-7-13(19)3-4-14(12)20/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,21,24)(H,22,25)/t15-,18+/m0/s1

InChI Key

FKCLUCVDJKEJEL-MAUKXSAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

-2.560

Water Solubility, LogSw

-2.30

Polar Surface Area

54.805

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB74-0126 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB74-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB74-0126?
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What is the minimum amount of SB74-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB74-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB74-0126
  • 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 SB74-0126 available by request