F912-0443 Screening compound: 5-[(3-methylphenoxy)methyl]-N-[3-(morpholine-4-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

F912-0443 Screening compound: 5-[(3-methylphenoxy)methyl]-N-[3-(morpholine-4-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
F912-0443 Screening compound: 5-[(3-methylphenoxy)methyl]-N-[3-(morpholine-4-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0443
5-[(3-methylphenoxy)methyl]-N-[3-(morpholine-4-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

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

F912-0443

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

5-[(3-methylphenoxy)methyl]-N-[3-(morpholine-4-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[(3-methylphenoxy)methyl]-N-[3-(morpholine-4-carbonyl)phenyl]-134-thiadiazole-2-carboxamide

SMILES

Cc1cccc(OCc2nnc(C(Nc3cc(C(N4CCOCC4)=O)ccc3)=O)s2)c1

InChI

InChI=1S/C22H22N4O4S/c1-15-4-2-7-18(12-15)30-14-19-24-25-21(31-19)20(27)23-17-6-3-5-16(13-17)22(28)26-8-10-29-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H,23,27)

InChI Key

KXMRVGRKRIPXQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.14

Polar Surface Area

79.113

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F912-0443 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F912-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0443?
Check Price and Availability of F912-0443, 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 F912-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0443
  • 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 F912-0443 available by request