7009-0645 Screening compound: 3-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)propanoic acid

7009-0645 Screening compound: 3-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)propanoic acid
7009-0645 Screening compound: 3-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0645
3-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)propanoic 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

7009-0645

Molecular Formula

C13H11NO5 (C13 H11 NO5)

Compound Name

3-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)propanoic acid

IUPAC name

3-({[(3Z)-24-dioxo-34-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)propanoic acid

SMILES

OC(CCN/C=C(/C(c(cccc1)c1O1)=O)\C1=O)=O

InChI

InChI=1S/C13H11NO5/c15-11(16)5-6-14-7-9-12(17)8-3-1-2-4-10(8)19-13(9)18/h1-4,7,14H,5-6H2,(H,15,16)

InChI Key

KOVIMRXCMYBPIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08671514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.406

Distribution Coefficient, logD

-3.102

Water Solubility, LogSw

-2.13

Polar Surface Area

75.664

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

7009-0645 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 7009-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0645?
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What is the minimum amount of 7009-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0645
  • 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 7009-0645 available by request