8006-9674 Screening compound: 4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

8006-9674 Screening compound: 4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate
8006-9674 Screening compound: 4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9674
4-[(E)-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

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

8006-9674

Molecular Formula

C23H19N3O6S (C23 H19 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C/c(cc1)ccc1OC(c1cccs1)=O

InChI

InChI=1S/C23H19N3O6S/c27-21(14-24-22(28)16-5-8-18-19(12-16)31-10-9-30-18)26-25-13-15-3-6-17(7-4-15)32-23(29)20-2-1-11-33-20/h1-8,11-13H,9-10,14H2,(H,24,28)(H,26,27)

InChI Key

QKRZBXKRTYHRAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.538

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.07

Polar Surface Area

97.245

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8006-9674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9674?
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What is the minimum amount of 8006-9674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9674
  • 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 8006-9674 available by request