Y030-9954 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide

Y030-9954 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide
Y030-9954 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9954
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)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

Y030-9954

Molecular Formula

C18H20N2O2S2 (C18 H20 N2 O2 S2)

Compound Name

N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide

SMILES

CCSc(cccc1)c1C(Nc1nc(CC(C)(C)CC2=O)c2s1)=O

InChI

InChI=1S/C18H20N2O2S2/c1-4-23-14-8-6-5-7-11(14)16(22)20-17-19-12-9-18(2,3)10-13(21)15(12)24-17/h5-8H,4,9-10H2,1-3H3,(H,19,20,22)

InChI Key

BAKGXCGTLZQZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04278752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-4.35

Polar Surface Area

48.045

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

Y030-9954 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-9954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9954?
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What is the minimum amount of Y030-9954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9954
  • 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 Y030-9954 available by request