K786-0946 Screening compound: 3-{[(4E)-6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino}-1-(4-methoxyphenyl)thiourea

K786-0946 Screening compound: 3-{[(4E)-6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino}-1-(4-methoxyphenyl)thiourea
K786-0946 Screening compound: 3-{[(4E)-6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino}-1-(4-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0946
3-{[(4E)-6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino}-1-(4-methoxyphenyl)thiourea

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

K786-0946

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

3-{[(4E)-6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino}-1-(4-methoxyphenyl)thiourea

IUPAC name

3-{[(4E)-6-hydroxy-22-dimethyl-34-dihydro-2H-1-benzopyran-4-ylidene]amino}-1-(4-methoxyphenyl)thiourea

SMILES

CC(C)(C1)Oc(ccc(O)c2)c2/C1=N/NC(Nc(cc1)ccc1OC)=S

InChI

InChI=1S/C19H21N3O3S/c1-19(2)11-16(15-10-13(23)6-9-17(15)25-19)21-22-18(26)20-12-4-7-14(24-3)8-5-12/h4-10,23H,11H2,1-3H3,(H2,20,22,26)

InChI Key

UXGVZHVJSTYDJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.23

Polar Surface Area

62.081

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

K786-0946 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0946?
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What is the minimum amount of K786-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0946
  • 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 K786-0946 available by request