Y030-6198 Screening compound: methyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}-4-methylpentanoate

Y030-6198 Screening compound: methyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}-4-methylpentanoate
Y030-6198 Screening compound: methyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6198
methyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}-4-methylpentanoate

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

Y030-6198

Molecular Formula

C16H23NO4S (C16 H23 NO4 S)

Compound Name

methyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}-4-methylpentanoate

IUPAC name

methyl 2-{[2-methoxy-4-(methylsulfanyl)phenyl]formamido}-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(c(ccc(SC)c1)c1OC)=O

InChI

InChI=1S/C16H23NO4S/c1-10(2)8-13(16(19)21-4)17-15(18)12-7-6-11(22-5)9-14(12)20-3/h6-7,9-10,13H,8H2,1-5H3,(H,17,18)/t13-/m0/s1

InChI Key

RWZLJFSDXAIIRX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03575898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.78

Polar Surface Area

53.358

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y030-6198 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y030-6198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6198?
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What is the minimum amount of Y030-6198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6198
  • 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 Y030-6198 available by request