8012-2563 Screening compound: 5-({[(5-methyl-3-furyl)carbonyl]amino}methyl)-3-furoic acid

8012-2563 Screening compound: 5-({[(5-methyl-3-furyl)carbonyl]amino}methyl)-3-furoic acid
8012-2563 Screening compound: 5-({[(5-methyl-3-furyl)carbonyl]amino}methyl)-3-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2563
5-({[(5-methyl-3-furyl)carbonyl]amino}methyl)-3-furoic acid

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

8012-2563

Molecular Formula

C12H11NO5 (C12 H11 NO5)

Compound Name

5-({[(5-methyl-3-furyl)carbonyl]amino}methyl)-3-furoic acid

IUPAC name

5-{[(5-methylfuran-3-yl)formamido]methyl}furan-3-carboxylic acid

SMILES

Cc1cc(C(NCc2cc(C(O)=O)co2)=O)co1

InChI

InChI=1S/C12H11NO5/c1-7-2-8(5-17-7)11(14)13-4-10-3-9(6-18-10)12(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)

InChI Key

MXGIEFDUWOIXES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02906329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.491

Distribution Coefficient, logD

-1.149

Water Solubility, LogSw

-1.71

Polar Surface Area

71.527

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8012-2563 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8012-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2563?
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What is the minimum amount of 8012-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2563
  • 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 8012-2563 available by request