0175-5247 Screening compound: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate

0175-5247 Screening compound: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate
0175-5247 Screening compound: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0175-5247
4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate

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

0175-5247

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate

IUPAC name

4-[(5-methyl-134-thiadiazol-2-yl)carbamoyl]phenyl octanoate

SMILES

CCCCCCCC(Oc(cc1)ccc1C(Nc1nnc(C)s1)=O)=O

InChI

InChI=1S/C18H23N3O3S/c1-3-4-5-6-7-8-16(22)24-15-11-9-14(10-12-15)17(23)19-18-21-20-13(2)25-18/h9-12H,3-8H2,1-2H3,(H,19,21,23)

InChI Key

YIFZDITWVHVXPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00983919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.31

Polar Surface Area

66.735

Acid Dissociation Constant (pKa)

7.03

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

0175-5247 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0175-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0175-5247?
Check Price and Availability of 0175-5247, 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 0175-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0175-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0175-5247
  • 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 0175-5247 available by request