5628-0866 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

5628-0866 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
5628-0866 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0866
2-methoxy-4-(methylsulfanyl)-N-[5-(propan-2-yl)-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

5628-0866

Molecular Formula

C14H17N3O2S2 (C14 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nnc(NC(c(ccc(SC)c2)c2OC)=O)s1

InChI

InChI=1S/C14H17N3O2S2/c1-8(2)13-16-17-14(21-13)15-12(18)10-6-5-9(20-4)7-11(10)19-3/h5-8H,1-4H3,(H,15,17,18)

InChI Key

JDXSNHQGWYSYJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

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

3.711

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-4.02

Polar Surface Area

54.505

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

5628-0866 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

CNS MPO Library (28609 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5628-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0866?
Check Price and Availability of 5628-0866, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5628-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0866
  • 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 5628-0866 available by request