0230-0218 Screening compound: 4-(heptyloxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

0230-0218 Screening compound: 4-(heptyloxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
0230-0218 Screening compound: 4-(heptyloxy)-N-(1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0230-0218
4-(heptyloxy)-N-(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

0230-0218

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

4-(heptyloxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

4-(heptyloxy)-N-(134-thiadiazol-2-yl)benzamide

SMILES

CCCCCCCOc(cc1)ccc1C(Nc1nncs1)=O

InChI

InChI=1S/C16H21N3O2S/c1-2-3-4-5-6-11-21-14-9-7-13(8-10-14)15(20)18-16-19-17-12-22-16/h7-10,12H,2-6,11H2,1H3,(H,18,19,20)

InChI Key

JDUNUOVAMZQKEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.28

Polar Surface Area

54.323

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

0230-0218 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0230-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0230-0218?
Check Price and Availability of 0230-0218, 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 0230-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0230-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0230-0218
  • 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 0230-0218 available by request