Y021-2083 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-phenoxyphenyl)acetamide

Y021-2083 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-phenoxyphenyl)acetamide
Y021-2083 Screening compound: 2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2083
2-(2-{[amino(imino)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-phenoxyphenyl)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

Y021-2083

Molecular Formula

C18H17N5O3S (C18 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

NC(NC(SC1CC(Nc(cc2)ccc2Oc2ccccc2)=O)=NC1=O)=N

InChI

InChI=1S/C18H17N5O3S/c19-17(20)23-18-22-16(25)14(27-18)10-15(24)21-11-6-8-13(9-7-11)26-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,21,24)(H4,19,20,22,23,25)/t14-/m0/s1

InChI Key

ZEVACFKVSQACLI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09438680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.715

Distribution Coefficient, logD

-1.518

Water Solubility, LogSw

-2.36

Polar Surface Area

101.446

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

Y021-2083 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 Y021-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2083?
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What is the minimum amount of Y021-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2083
  • 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 Y021-2083 available by request