C151-0278 Screening compound: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

C151-0278 Screening compound: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one
C151-0278 Screening compound: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0278
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

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

C151-0278

Molecular Formula

C19H17BrO3 (C19 H17 BrO3)

Compound Name

(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC name

(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methoxy-1234-tetrahydronaphthalen-1-one

SMILES

COc(cc1)cc(CC/C2=C/c(cc(cc3)Br)c3OC)c1C2=O

InChI

InChI=1S/C19H17BrO3/c1-22-16-6-7-17-12(11-16)3-4-13(19(17)21)9-14-10-15(20)5-8-18(14)23-2/h5-11H,3-4H2,1-2H3

InChI Key

QQDFLTUAKRMVGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.45

Polar Surface Area

28.208

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C151-0278 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C151-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0278?
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What is the minimum amount of C151-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0278
  • 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 C151-0278 available by request