3570-0705 Screening compound: propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

3570-0705 Screening compound: propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
3570-0705 Screening compound: propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0705
propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-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

3570-0705

Molecular Formula

C19H23BrO5 (C19 H23 BrO5)

Compound Name

propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

propan-2-yl 6-bromo-5-(33-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CC(C)OC(c(c1c2)c(C)oc1cc(Br)c2OCC(C(C)(C)C)=O)=O

InChI

InChI=1S/C19H23BrO5/c1-10(2)24-18(22)17-11(3)25-14-8-13(20)15(7-12(14)17)23-9-16(21)19(4,5)6/h7-8,10H,9H2,1-6H3

InChI Key

OZXBJEWGALTNBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.17

Polar Surface Area

49.451

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

3570-0705 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3570-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0705?
Check Price and Availability of 3570-0705, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3570-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0705
  • 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 3570-0705 available by request