4891-5043 Screening compound: methyl 4-{5-[(E)-{[(methoxycarbonyl)amino]imino}methyl]furan-2-yl}benzoate

4891-5043 Screening compound: methyl 4-{5-[(E)-{[(methoxycarbonyl)amino]imino}methyl]furan-2-yl}benzoate
4891-5043 Screening compound: methyl 4-{5-[(E)-{[(methoxycarbonyl)amino]imino}methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4891-5043
methyl 4-{5-[(E)-{[(methoxycarbonyl)amino]imino}methyl]furan-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

4891-5043

Molecular Formula

C15H14N2O5 (C15 H14 N2 O5)

Compound Name

methyl 4-{5-[(E)-{[(methoxycarbonyl)amino]imino}methyl]furan-2-yl}benzoate

IUPAC name

methyl 4-{5-[(E)-{[(methoxycarbonyl)amino]imino}methyl]furan-2-yl}benzoate

SMILES

COC(c(cc1)ccc1-c1ccc(/C=N/NC(OC)=O)o1)=O

InChI

InChI=1S/C15H14N2O5/c1-20-14(18)11-5-3-10(4-6-11)13-8-7-12(22-13)9-16-17-15(19)21-2/h3-9H,1-2H3,(H,17,19)

InChI Key

NLZXWJXWRCPWMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.54

Polar Surface Area

73.071

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4891-5043 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4891-5043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4891-5043?
Check Price and Availability of 4891-5043, 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 4891-5043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4891-5043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4891-5043
  • 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 4891-5043 available by request