3570-0654 Screening compound: methyl 6-bromo-2-methyl-5-(2-methylbenzoyloxy)-1-benzofuran-3-carboxylate

3570-0654 Screening compound: methyl 6-bromo-2-methyl-5-(2-methylbenzoyloxy)-1-benzofuran-3-carboxylate
3570-0654 Screening compound: methyl 6-bromo-2-methyl-5-(2-methylbenzoyloxy)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0654
methyl 6-bromo-2-methyl-5-(2-methylbenzoyloxy)-1-benzofuran-3-carboxylate

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

3570-0654

Molecular Formula

C19H15BrO5 (C19 H15 BrO5)

Compound Name

methyl 6-bromo-2-methyl-5-(2-methylbenzoyloxy)-1-benzofuran-3-carboxylate

IUPAC name

methyl 6-bromo-2-methyl-5-(2-methylbenzoyloxy)-1-benzofuran-3-carboxylate

SMILES

Cc(oc1c2)c(C(OC)=O)c1cc(OC(c1c(C)cccc1)=O)c2Br

InChI

InChI=1S/C19H15BrO5/c1-10-6-4-5-7-12(10)18(21)25-16-8-13-15(9-14(16)20)24-11(2)17(13)19(22)23-3/h4-9H,1-3H3

InChI Key

JEWRGNZBFGLVQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.901

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-5.02

Polar Surface Area

49.824

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3570-0654 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3570-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0654?
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What is the minimum amount of 3570-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0654
  • 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 3570-0654 available by request