3570-0648 Screening compound: propan-2-yl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate

3570-0648 Screening compound: propan-2-yl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
3570-0648 Screening compound: propan-2-yl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0648
propan-2-yl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-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

3570-0648

Molecular Formula

C18H21BrO5 (C18 H21 BrO5)

Compound Name

propan-2-yl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

propan-2-yl 6-bromo-5-[(22-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CC(C)OC(c(c1c2)c(C)oc1cc(Br)c2OC(C(C)(C)C)=O)=O

InChI

InChI=1S/C18H21BrO5/c1-9(2)22-16(20)15-10(3)23-13-8-12(19)14(7-11(13)15)24-17(21)18(4,5)6/h7-9H,1-6H3

InChI Key

SQCKSFQUNYQKDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.39

Polar Surface Area

49.355

Acid Dissociation Constant (pKa)

29.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3570-0648 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3570-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0648?
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What is the minimum amount of 3570-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0648
  • 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 3570-0648 available by request