Y021-2095 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(1-naphthyl)acetamide

Y021-2095 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(1-naphthyl)acetamide
Y021-2095 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(1-naphthyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2095
2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(1-naphthyl)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

Y021-2095

Molecular Formula

C16H15N5O2S (C16 H15 N5 O2 S)

Compound Name

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

IUPAC name

2-(2-carbamimidamido-4-oxo-45-dihydro-13-thiazol-5-yl)-N-(naphthalen-1-yl)acetamide

SMILES

NC(NC(SC1CC(Nc2cccc3ccccc23)=O)=NC1=O)=N

InChI

InChI=1S/C16H15N5O2S/c17-15(18)21-16-20-14(23)12(24-16)8-13(22)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,19,22)(H4,17,18,20,21,23)/t12-/m0/s1

InChI Key

ARGNPSFGIFAWGD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09463317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.594

Distribution Coefficient, logD

-2.639

Water Solubility, LogSw

-2.44

Polar Surface Area

93.729

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y021-2095 in Drug Discovery

Included in Screening Libraries

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

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 Y021-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2095?
Check Price and Availability of Y021-2095, 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 Y021-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2095
  • 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 Y021-2095 available by request