M892-1780 Screening compound: 2-{5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

M892-1780 Screening compound: 2-{5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
M892-1780 Screening compound: 2-{5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M892-1780
2-{5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

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

M892-1780

Molecular Formula

C18H15F3N4O3S (C18 H15 F3 N4 O3 S)

Compound Name

2-{5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{5-[(2-methoxyphenyl)amino]-134-thiadiazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

COc(cccc1)c1Nc1nnc(CC(Nc(cc2)ccc2OC(F)(F)F)=O)s1

InChI

InChI=1S/C18H15F3N4O3S/c1-27-14-5-3-2-4-13(14)23-17-25-24-16(29-17)10-15(26)22-11-6-8-12(9-7-11)28-18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,25)

InChI Key

VAANXJCQMFWKKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.67

Polar Surface Area

68.938

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M892-1780 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M892-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M892-1780?
Check Price and Availability of M892-1780, 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 M892-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M892-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M892-1780
  • 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 M892-1780 available by request