8006-9005 Screening compound: (1{E})-6-hydroxy-5-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-[2-chloro-5-(methylthio)benzoyl]oxime

8006-9005 Screening compound: (1{E})-6-hydroxy-5-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-[2-chloro-5-(methylthio)benzoyl]oxime
8006-9005 Screening compound: (1{E})-6-hydroxy-5-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-[2-chloro-5-(methylthio)benzoyl]oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9005
(1{E})-6-hydroxy-5-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-[2-chloro-5-(methylthio)benzoyl]oxime

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

8006-9005

Molecular Formula

C19H18ClNO3S (C19 H18 ClNO3 S)

Compound Name

(1{E})-6-hydroxy-5-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-[2-chloro-5-(methylthio)benzoyl]oxime

IUPAC name

[(1E)-6-hydroxy-5-methyl-1234-tetrahydronaphthalen-1-ylidene]amino 2-chloro-5-(methylsulfanyl)benzoate

SMILES

Cc(c(CCC1)c(cc2)/C1=N/OC(c(cc(cc1)SC)c1Cl)=O)c2O

InChI

InChI=1S/C19H18ClNO3S/c1-11-13-4-3-5-17(14(13)7-9-18(11)22)21-24-19(23)15-10-12(25-2)6-8-16(15)20/h6-10,22H,3-5H2,1-2H3

InChI Key

AWAQYWVDDGKXFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-4.94

Polar Surface Area

48.030

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8006-9005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9005?
Check Price and Availability of 8006-9005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-9005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9005
  • 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 8006-9005 available by request