3202-0019 Screening compound: isobutyl N-{5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate

3202-0019 Screening compound: isobutyl N-{5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate
3202-0019 Screening compound: isobutyl N-{5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0019
isobutyl N-{5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate

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

3202-0019

Molecular Formula

C16H21N3O3S (C16 H21 N3 O3 S)

Compound Name

isobutyl N-{5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate

IUPAC name

2-methylpropyl N-{5-[(24-dimethylphenoxy)methyl]-134-thiadiazol-2-yl}carbamate

SMILES

CC(C)COC(Nc1nnc(COc2c(C)cc(C)cc2)s1)=O

InChI

InChI=1S/C16H21N3O3S/c1-10(2)8-22-16(20)17-15-19-18-14(23-15)9-21-13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3,(H,17,19,20)

InChI Key

UUWFDCTXJRXCMT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.62

Polar Surface Area

63.412

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

3202-0019 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3202-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0019?
Check Price and Availability of 3202-0019, 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 3202-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0019
  • 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 3202-0019 available by request