Y021-2094 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

Y021-2094 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
Y021-2094 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2094
2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)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

Y021-2094

Molecular Formula

C13H12F3N5O2S (C13 H12 F3 N5 O2 S)

Compound Name

2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(2-carbamimidamido-4-oxo-45-dihydro-13-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

NC(NC(SC1CC(Nc2c(C(F)(F)F)cccc2)=O)=NC1=O)=N

InChI

InChI=1S/C13H12F3N5O2S/c14-13(15,16)6-3-1-2-4-7(6)19-9(22)5-8-10(23)20-12(24-8)21-11(17)18/h1-4,8H,5H2,(H,19,22)(H4,17,18,20,21,23)/t8-/m0/s1

InChI Key

KAFMXYVCONMQPP-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD09463309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.541

Distribution Coefficient, logD

-2.692

Water Solubility, LogSw

-2.26

Polar Surface Area

94.000

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

Y021-2094 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2094?
Check Price and Availability of Y021-2094, 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 Y021-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2094
  • 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 Y021-2094 available by request