4545-0850 Screening compound: methyl 4-(5-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate

4545-0850 Screening compound: methyl 4-(5-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate
4545-0850 Screening compound: methyl 4-(5-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-0850
methyl 4-(5-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate

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

4545-0850

Molecular Formula

C24H19BrN2O5 (C24 H19 BrN2 O5)

Compound Name

methyl 4-(5-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate

IUPAC name

methyl 4-(5-{[(4E)-1-[(4-bromophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)-3-methylbenzoate

SMILES

Cc(cc(cc1)C(OC)=O)c1-c1ccc(/C=C(\C(N2Cc(cc3)ccc3Br)=O)/NC2=O)o1

InChI

InChI=1S/C24H19BrN2O5/c1-14-11-16(23(29)31-2)5-9-19(14)21-10-8-18(32-21)12-20-22(28)27(24(30)26-20)13-15-3-6-17(25)7-4-15/h3-12H,13H2,1-2H3,(H,26,30)

InChI Key

SAMOZRUTBMIDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.42

Polar Surface Area

69.414

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4545-0850 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4545-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-0850?
Check Price and Availability of 4545-0850, 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 4545-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-0850
  • 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 4545-0850 available by request