Y020-7071 Screening compound: methyl 2-{1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate

Y020-7071 Screening compound: methyl 2-{1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Y020-7071 Screening compound: methyl 2-{1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7071
methyl 2-{1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate

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

Y020-7071

Molecular Formula

C16H21N3O3S (C16 H21 N3 O3 S)

Compound Name

methyl 2-{1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate

IUPAC name

methyl 2-{1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate

SMILES

CCc(cc1)ccc1NC(N(CCN1)C(CC(OC)=O)C1=O)=S

InChI

InChI=1S/C16H21N3O3S/c1-3-11-4-6-12(7-5-11)18-16(23)19-9-8-17-15(21)13(19)10-14(20)22-2/h4-7,13H,3,8-10H2,1-2H3,(H,17,21)(H,18,23)/t13-/m0/s1

InChI Key

XBTJULWXKVADQN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04180462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.93

Polar Surface Area

56.266

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

Y020-7071 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y020-7071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7071?
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What is the minimum amount of Y020-7071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7071
  • 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 Y020-7071 available by request