Y030-7122 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

Y030-7122 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Y030-7122 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7122
2-methoxy-4-(methylsulfanyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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

Y030-7122

Molecular Formula

C12H10F3N3O2S2 (C12 H10 F3 N3 O2 S2)

Compound Name

2-methoxy-4-(methylsulfanyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

2-methoxy-4-(methylsulfanyl)-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]benzamide

SMILES

COc(cc(cc1)SC)c1C(Nc1nnc(C(F)(F)F)s1)=O

InChI

InChI=1S/C12H10F3N3O2S2/c1-20-8-5-6(21-2)3-4-7(8)9(19)16-11-18-17-10(22-11)12(13,14)15/h3-5H,1-2H3,(H,16,18,19)

InChI Key

NRDDNSBOXGEDOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

-0.778

Water Solubility, LogSw

-4.09

Polar Surface Area

54.505

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y030-7122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-7122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7122?
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What is the minimum amount of Y030-7122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7122
  • 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 Y030-7122 available by request