Y030-9512 Screening compound: 2-methoxy-N-(2-methylbutan-2-yl)-4-(methylsulfanyl)benzamide

Y030-9512 Screening compound: 2-methoxy-N-(2-methylbutan-2-yl)-4-(methylsulfanyl)benzamide
Y030-9512 Screening compound: 2-methoxy-N-(2-methylbutan-2-yl)-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9512
2-methoxy-N-(2-methylbutan-2-yl)-4-(methylsulfanyl)benzamide

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

Y030-9512

Molecular Formula

C14H21NO2S (C14 H21 NO2 S)

Compound Name

2-methoxy-N-(2-methylbutan-2-yl)-4-(methylsulfanyl)benzamide

IUPAC name

2-methoxy-N-(2-methylbutan-2-yl)-4-(methylsulfanyl)benzamide

SMILES

CCC(C)(C)NC(c(ccc(SC)c1)c1OC)=O

InChI

InChI=1S/C14H21NO2S/c1-6-14(2,3)15-13(16)11-8-7-10(18-5)9-12(11)17-4/h7-9H,6H2,1-5H3,(H,15,16)

InChI Key

NUKUPBRLQDWVJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04498295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.52

Polar Surface Area

31.845

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y030-9512 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-9512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9512?
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What is the minimum amount of Y030-9512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9512
  • 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 Y030-9512 available by request