3609-0218 Screening compound: methyl 4-(3-{[(4Z)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

3609-0218 Screening compound: methyl 4-(3-{[(4Z)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
3609-0218 Screening compound: methyl 4-(3-{[(4Z)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3609-0218
methyl 4-(3-{[(4Z)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

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

3609-0218

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

methyl 4-(3-{[(4Z)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

IUPAC name

methyl 4-(3-{[(4Z)-25-dioxoimidazolidin-4-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)benzoate

SMILES

Cc1cc(/C=C(/C(N2)=O)\NC2=O)c(C)n1-c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C18H17N3O4/c1-10-8-13(9-15-16(22)20-18(24)19-15)11(2)21(10)14-6-4-12(5-7-14)17(23)25-3/h4-9H,1-3H3,(H2,19,20,22,24)

InChI Key

IYDFNWPDTWSAFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.77

Polar Surface Area

73.150

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3609-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3609-0218?
Check Price and Availability of 3609-0218, 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 3609-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3609-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3609-0218
  • 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 3609-0218 available by request