0591-5436 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pentyloxy)benzamide

0591-5436 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pentyloxy)benzamide
0591-5436 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pentyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5436
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pentyloxy)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

0591-5436

Molecular Formula

C16H21N3O2S2 (C16 H21 N3 O2 S2)

Compound Name

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pentyloxy)benzamide

IUPAC name

N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-4-(pentyloxy)benzamide

SMILES

CCCCCOc(cc1)ccc1C(Nc1nnc(SCC)s1)=O

InChI

InChI=1S/C16H21N3O2S2/c1-3-5-6-11-21-13-9-7-12(8-10-13)14(20)17-15-18-19-16(23-15)22-4-2/h7-10H,3-6,11H2,1-2H3,(H,17,18,20)

InChI Key

HNHBNNGXPMLEEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.18

Polar Surface Area

53.653

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

0591-5436 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0591-5436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5436?
Check Price and Availability of 0591-5436, 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 0591-5436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5436
  • 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 0591-5436 available by request