4463-0029 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3,4-dichlorobenzoate

4463-0029 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3,4-dichlorobenzoate
4463-0029 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4463-0029
[(4Z)-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3,4-dichlorobenzoate

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

4463-0029

Molecular Formula

C16H11Cl2NO3 (C16 H11 Cl2 NO3)

Compound Name

[(4Z)-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3,4-dichlorobenzoate

IUPAC name

[(4Z)-34-dihydro-2H-1-benzopyran-4-ylidene]amino 34-dichlorobenzoate

SMILES

O=C(c(cc1)cc(Cl)c1Cl)O/N=C1\c(cccc2)c2OCC1

InChI

InChI=1S/C16H11Cl2NO3/c17-12-6-5-10(9-13(12)18)16(20)22-19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9H,7-8H2

InChI Key

AYQREQLLXRMNMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.65

Polar Surface Area

39.433

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4463-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4463-0029?
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What is the minimum amount of 4463-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4463-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4463-0029
  • 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 4463-0029 available by request