4371-5601 Screening compound: methyl 2-(3-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate

4371-5601 Screening compound: methyl 2-(3-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate
4371-5601 Screening compound: methyl 2-(3-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4371-5601
methyl 2-(3-{[(4Z)-1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-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

4371-5601

Molecular Formula

C22H18ClN3O4 (C22 H18 ClN3 O4)

Compound Name

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

IUPAC name

methyl 2-(3-{[(4Z)-1-[(4-chlorophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)acetate

SMILES

COC(Cn1c(cccc2)c2c(/C=C(/C(N2Cc(cc3)ccc3Cl)=O)\NC2=O)c1)=O

InChI

InChI=1S/C22H18ClN3O4/c1-30-20(27)13-25-12-15(17-4-2-3-5-19(17)25)10-18-21(28)26(22(29)24-18)11-14-6-8-16(23)9-7-14/h2-10,12H,11,13H2,1H3,(H,24,29)

InChI Key

COCJPTVVIBFCSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04023809

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

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.88

Polar Surface Area

63.253

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 4371-5601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4371-5601?
Check Price and Availability of 4371-5601, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4371-5601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4371-5601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4371-5601
  • 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 4371-5601 available by request