3615-0365 Screening compound: ethyl 2-(3-{[(4E)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate

3615-0365 Screening compound: ethyl 2-(3-{[(4E)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate
3615-0365 Screening compound: ethyl 2-(3-{[(4E)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0365
ethyl 2-(3-{[(4E)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1H-indol-1-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

3615-0365

Molecular Formula

C22H18ClN3O4 (C22 H18 ClN3 O4)

Compound Name

ethyl 2-(3-{[(4E)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate

IUPAC name

ethyl 2-(3-{[(4E)-1-(3-chlorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate

SMILES

CCOC(Cn1c(cccc2)c2c(/C=C(\C(NN2c3cccc(Cl)c3)=O)/C2=O)c1)=O

InChI

InChI=1S/C22H18ClN3O4/c1-2-30-20(27)13-25-12-14(17-8-3-4-9-19(17)25)10-18-21(28)24-26(22(18)29)16-7-5-6-15(23)11-16/h3-12H,2,13H2,1H3,(H,24,28)

InChI Key

UKIUYQDQIBOQNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.52

Polar Surface Area

64.922

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3615-0365 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 3615-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0365?
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What is the minimum amount of 3615-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0365
  • 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 3615-0365 available by request