1463-0077 Screening compound: 5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

1463-0077 Screening compound: 5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
1463-0077 Screening compound: 5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1463-0077
5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

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

1463-0077

Molecular Formula

C11H13N3OS (C11 H13 N3 OS)

Compound Name

5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

IUPAC name

5-[(4-ethylphenoxy)methyl]-134-thiadiazol-2-amine

SMILES

CCc(cc1)ccc1OCc1nnc(N)s1

InChI

InChI=1S/C11H13N3OS/c1-2-8-3-5-9(6-4-8)15-7-10-13-14-11(12)16-10/h3-6H,2,7H2,1H3,(H2,12,14)

InChI Key

NVXXRNFNGWRRSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01081220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-2.52

Polar Surface Area

52.263

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

1463-0077 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1463-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1463-0077?
Check Price and Availability of 1463-0077, 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 1463-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1463-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1463-0077
  • 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 1463-0077 available by request