G729-0027 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(butan-2-yl)propanamide

G729-0027 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(butan-2-yl)propanamide
G729-0027 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(butan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0027
3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(butan-2-yl)propanamide

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

G729-0027

Molecular Formula

C16H21N3O4S (C16 H21 N3 O4 S)

Compound Name

3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(butan-2-yl)propanamide

IUPAC name

3-{3-[(benzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-(butan-2-yl)propanamide

SMILES

CCC(C)NC(CCc1nc(CS(c2ccccc2)(=O)=O)no1)=O

InChI

InChI=1S/C16H21N3O4S/c1-3-12(2)17-15(20)9-10-16-18-14(19-23-16)11-24(21,22)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1

InChI Key

GSJAKCLMXHRYSY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27154515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.494

Water Solubility, LogSw

-2.38

Polar Surface Area

85.521

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

G729-0027 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G729-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0027?
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What is the minimum amount of G729-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0027
  • 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 G729-0027 available by request