3570-0635 Screening compound: methyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate

3570-0635 Screening compound: methyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
3570-0635 Screening compound: methyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0635
methyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-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

3570-0635

Molecular Formula

C18H12BrNO7 (C18 H12 BrNO7)

Compound Name

methyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate

IUPAC name

methyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate

SMILES

Cc(oc1c2)c(C(OC)=O)c1cc(OC(c(cc1)ccc1[N+]([O-])=O)=O)c2Br

InChI

InChI=1S/C18H12BrNO7/c1-9-16(18(22)25-2)12-7-15(13(19)8-14(12)26-9)27-17(21)10-3-5-11(6-4-10)20(23)24/h3-8H,1-2H3

InChI Key

HNIDQBZKPWKGRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.2

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.70

Polar Surface Area

83.206

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3570-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0635?
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What is the minimum amount of 3570-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0635
  • 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 3570-0635 available by request