Y010-1882 Screening compound: 4-{(E)-1-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-phenyl-1H-pyrazole-3,5(2H,4H)-dione

Y010-1882 Screening compound: 4-{(E)-1-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-phenyl-1H-pyrazole-3,5(2H,4H)-dione
Y010-1882 Screening compound: 4-{(E)-1-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-phenyl-1H-pyrazole-3,5(2H,4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1882
4-{(E)-1-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-phenyl-1H-pyrazole-3,5(2H,4H)-dione

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

Y010-1882

Molecular Formula

C25H17Cl2N3O2 (C25 H17 Cl2 N3 O2)

Compound Name

4-{(E)-1-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-phenyl-1H-pyrazole-3,5(2H,4H)-dione

IUPAC name

(4E)-4-({1-[(24-dichlorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-phenylpyrazolidine-35-dione

SMILES

O=C(/C(/C1=O)=C\c2cn(Cc(ccc(Cl)c3)c3Cl)c3c2cccc3)NN1c1ccccc1

InChI

InChI=1S/C25H17Cl2N3O2/c26-18-11-10-16(22(27)13-18)14-29-15-17(20-8-4-5-9-23(20)29)12-21-24(31)28-30(25(21)32)19-6-2-1-3-7-19/h1-13,15H,14H2,(H,28,31)

InChI Key

JJDCBRHZQBCPCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03013852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.247

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.80

Polar Surface Area

44.492

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

Y010-1882 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 Y010-1882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1882?
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What is the minimum amount of Y010-1882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1882
  • 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 Y010-1882 available by request