1286-0245 Screening compound: 4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]benzoic acid

1286-0245 Screening compound: 4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]benzoic acid
1286-0245 Screening compound: 4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0245
4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]benzoic 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

1286-0245

Molecular Formula

C19H17N3O6 (C19 H17 N3 O6)

Compound Name

4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]benzoic acid

IUPAC name

4-[(E)-({2-[(23-dihydro-14-benzodioxin-6-yl)formamido]acetamido}imino)methyl]benzoic acid

SMILES

OC(c1ccc(/C=N/NC(CNC(c(cc2)cc3c2OCCO3)=O)=O)cc1)=O

InChI

InChI=1S/C19H17N3O6/c23-17(22-21-10-12-1-3-13(4-2-12)19(25)26)11-20-18(24)14-5-6-15-16(9-14)28-8-7-27-15/h1-6,9-10H,7-8,11H2,(H,20,24)(H,22,23)(H,25,26)

InChI Key

DIPBEMARFSXKKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

-2.272

Water Solubility, LogSw

-2.07

Polar Surface Area

104.257

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 1286-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0245?
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What is the minimum amount of 1286-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0245
  • 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 1286-0245 available by request