8006-9712 Screening compound: (1{E})-6-hydroxy-3-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-(2-thienylcarbonyl)oxime

8006-9712 Screening compound: (1{E})-6-hydroxy-3-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-(2-thienylcarbonyl)oxime
8006-9712 Screening compound: (1{E})-6-hydroxy-3-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-(2-thienylcarbonyl)oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9712
(1{E})-6-hydroxy-3-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-(2-thienylcarbonyl)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

8006-9712

Molecular Formula

C16H15NO3S (C16 H15 NO3 S)

Compound Name

(1{E})-6-hydroxy-3-methyl-3,4-dihydronaphthalen-1(2{H})-one {O}-(2-thienylcarbonyl)oxime

IUPAC name

[(1E)-6-hydroxy-3-methyl-1234-tetrahydronaphthalen-1-ylidene]amino thiophene-2-carboxylate

SMILES

CC(Cc1c2ccc(O)c1)C/C2=N\OC(c1cccs1)=O

InChI

InChI=1S/C16H15NO3S/c1-10-7-11-9-12(18)4-5-13(11)14(8-10)17-20-16(19)15-3-2-6-21-15/h2-6,9-10,18H,7-8H2,1H3/t10-/m1/s1

InChI Key

ILKIWDQAJXAYEI-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.94

Polar Surface Area

50.118

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8006-9712 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-9712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9712?
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What is the minimum amount of 8006-9712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9712
  • 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 8006-9712 available by request