4986-1345 Screening compound: 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N,N-dimethylacetamide

4986-1345 Screening compound: 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N,N-dimethylacetamide
4986-1345 Screening compound: 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-1345
2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N,N-dimethylacetamide

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

4986-1345

Molecular Formula

C17H18ClNO4 (C17 H18 ClNO4)

Compound Name

2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N,N-dimethylacetamide

IUPAC name

2-({2-chloro-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)-NN-dimethylacetamide

SMILES

CN(C)C(COc(cc(c(C1=C2CCCC1)c1)OC2=O)c1Cl)=O

InChI

InChI=1S/C17H18ClNO4/c1-19(2)16(20)9-22-15-8-14-12(7-13(15)18)10-5-3-4-6-11(10)17(21)23-14/h7-8H,3-6,9H2,1-2H3

InChI Key

ZGIDAEATDCPNNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.856

Distribution Coefficient, logD

2.856

Water Solubility, LogSw

-3.56

Polar Surface Area

44.140

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 4986-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-1345?
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What is the minimum amount of 4986-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-1345
  • 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 4986-1345 available by request