7009-0654 Screening compound: 2-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)-3-hydroxypropanoic acid

7009-0654 Screening compound: 2-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)-3-hydroxypropanoic acid
7009-0654 Screening compound: 2-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)-3-hydroxypropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0654
2-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)-3-hydroxypropanoic 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

7009-0654

Molecular Formula

C13H11NO6 (C13 H11 NO6)

Compound Name

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

IUPAC name

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

SMILES

OCC(C(O)=O)N/C=C(/C(c(cccc1)c1O1)=O)\C1=O

InChI

InChI=1S/C13H11NO6/c15-6-9(12(17)18)14-5-8-11(16)7-3-1-2-4-10(7)20-13(8)19/h1-5,9,14-15H,6H2,(H,17,18)/t9-/m0/s1

InChI Key

VKLQWLWCTDKNRQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD08671517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.960

Distribution Coefficient, logD

-3.791

Water Solubility, LogSw

-2.09

Polar Surface Area

92.383

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

7009-0654 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7009-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0654?
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What is the minimum amount of 7009-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0654
  • 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 7009-0654 available by request