6944-0137 Screening compound: 4-({[(10Z)-8,8-dimethyl-2,9-dioxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-ylidene]methyl}amino)-2-hydroxybenzoic acid

6944-0137 Screening compound: 4-({[(10Z)-8,8-dimethyl-2,9-dioxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-ylidene]methyl}amino)-2-hydroxybenzoic acid
6944-0137 Screening compound: 4-({[(10Z)-8,8-dimethyl-2,9-dioxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-ylidene]methyl}amino)-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6944-0137
4-({[(10Z)-8,8-dimethyl-2,9-dioxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-ylidene]methyl}amino)-2-hydroxybenzoic 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

6944-0137

Molecular Formula

C22H17NO7 (C22 H17 NO7)

Compound Name

4-({[(10Z)-8,8-dimethyl-2,9-dioxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-ylidene]methyl}amino)-2-hydroxybenzoic acid

IUPAC name

4-({[(10Z)-88-dimethyl-29-dioxo-2H8H9H10H-pyrano[23-h]chromen-10-ylidene]methyl}amino)-2-hydroxybenzoic acid

SMILES

CC(C)(C1=O)Oc2ccc(C=CC(O3)=O)c3c2/C1=C/Nc(cc1)cc(O)c1C(O)=O

InChI

InChI=1S/C22H17NO7/c1-22(2)20(26)14(10-23-12-5-6-13(21(27)28)15(24)9-12)18-16(30-22)7-3-11-4-8-17(25)29-19(11)18/h3-10,23-24H,1-2H3,(H,27,28)

InChI Key

YHQCLGOTQOYRRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03445157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

0.492

Water Solubility, LogSw

-3.76

Polar Surface Area

96.711

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 6944-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6944-0137?
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What is the minimum amount of 6944-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6944-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6944-0137
  • 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 6944-0137 available by request