8008-4434 Screening compound: methyl 4-{3-[(E)-{[4-(methoxycarbonyl)phenyl]methylidene}amino]-4-oxo-1-(propan-2-yl)imidazolidin-2-yl}benzoate

8008-4434 Screening compound: methyl 4-{3-[(E)-{[4-(methoxycarbonyl)phenyl]methylidene}amino]-4-oxo-1-(propan-2-yl)imidazolidin-2-yl}benzoate
8008-4434 Screening compound: methyl 4-{3-[(E)-{[4-(methoxycarbonyl)phenyl]methylidene}amino]-4-oxo-1-(propan-2-yl)imidazolidin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4434
methyl 4-{3-[(E)-{[4-(methoxycarbonyl)phenyl]methylidene}amino]-4-oxo-1-(propan-2-yl)imidazolidin-2-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

8008-4434

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

methyl 4-{3-[(E)-{[4-(methoxycarbonyl)phenyl]methylidene}amino]-4-oxo-1-(propan-2-yl)imidazolidin-2-yl}benzoate

IUPAC name

methyl 4-{3-[(E)-{[4-(methoxycarbonyl)phenyl]methylidene}amino]-4-oxo-1-(propan-2-yl)imidazolidin-2-yl}benzoate

SMILES

CC(C)N(CC1=O)C(c(cc2)ccc2C(OC)=O)N1/N=C/c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C23H25N3O5/c1-15(2)25-14-20(27)26(21(25)17-9-11-19(12-10-17)23(29)31-4)24-13-16-5-7-18(8-6-16)22(28)30-3/h5-13,15,21H,14H2,1-4H3/t21-/m1/s1

InChI Key

ZHDALENJLZAVPB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01304866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-3.75

Polar Surface Area

72.750

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8008-4434 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4434?
Check Price and Availability of 8008-4434, 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 8008-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4434
  • 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 8008-4434 available by request