Y044-4282 Screening compound: 2-(2,5-dioxo-1-phenethyl-4-imidazolidinyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

Y044-4282 Screening compound: 2-(2,5-dioxo-1-phenethyl-4-imidazolidinyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
Y044-4282 Screening compound: 2-(2,5-dioxo-1-phenethyl-4-imidazolidinyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4282
2-(2,5-dioxo-1-phenethyl-4-imidazolidinyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)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

Y044-4282

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

2-(2,5-dioxo-1-phenethyl-4-imidazolidinyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

IUPAC name

N-{4H5H6H7H8H-cyclohepta[d][13]thiazol-2-yl}-2-[25-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide

SMILES

O=C(CC(C(N1CCc2ccccc2)=O)NC1=O)Nc1nc(CCCCC2)c2s1

InChI

InChI=1S/C21H24N4O3S/c26-18(24-20-22-15-9-5-2-6-10-17(15)29-20)13-16-19(27)25(21(28)23-16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2,(H,23,28)(H,22,24,26)/t16-/m0/s1

InChI Key

XNGPQOGLFLKMGZ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.69

Polar Surface Area

76.591

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y044-4282 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 Y044-4282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4282?
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What is the minimum amount of Y044-4282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4282
  • 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 Y044-4282 available by request