Y020-5978 Screening compound: 1,3-dimethyl 5-{3-[(2,4-dichlorophenyl)hydrazido]-2,5-dioxopyrrolidin-1-yl}benzene-1,3-dicarboxylate

Y020-5978 Screening compound: 1,3-dimethyl 5-{3-[(2,4-dichlorophenyl)hydrazido]-2,5-dioxopyrrolidin-1-yl}benzene-1,3-dicarboxylate
Y020-5978 Screening compound: 1,3-dimethyl 5-{3-[(2,4-dichlorophenyl)hydrazido]-2,5-dioxopyrrolidin-1-yl}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5978
1,3-dimethyl 5-{3-[(2,4-dichlorophenyl)hydrazido]-2,5-dioxopyrrolidin-1-yl}benzene-1,3-dicarboxylate

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

Y020-5978

Molecular Formula

C21H17Cl2N3O7 (C21 H17 Cl2 N3 O7)

Compound Name

1,3-dimethyl 5-{3-[(2,4-dichlorophenyl)hydrazido]-2,5-dioxopyrrolidin-1-yl}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{3-[(24-dichlorophenyl)hydrazido]-25-dioxopyrrolidin-1-yl}benzene-13-dicarboxylate

SMILES

COC(c1cc(N(C(CC2NNC(c(ccc(Cl)c3)c3Cl)=O)=O)C2=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C21H17Cl2N3O7/c1-32-20(30)10-5-11(21(31)33-2)7-13(6-10)26-17(27)9-16(19(26)29)24-25-18(28)14-4-3-12(22)8-15(14)23/h3-8,16,24H,9H2,1-2H3,(H,25,28)/t16-/m0/s1

InChI Key

NIHMQJGLYPXZLO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03871976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.29

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-3.55

Polar Surface Area

110.040

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

Y020-5978 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-5978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5978?
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What is the minimum amount of Y020-5978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5978
  • 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 Y020-5978 available by request