8017-4732 Screening compound: 3-bromo-N~1~-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

8017-4732 Screening compound: 3-bromo-N~1~-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
8017-4732 Screening compound: 3-bromo-N~1~-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4732
3-bromo-N~1~-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

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

8017-4732

Molecular Formula

C19H18BrNO4 (C19 H18 BrNO4)

Compound Name

3-bromo-N~1~-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

IUPAC name

n/a

SMILES

CCCC(c(cc1OCCOc1c1)c1NC(c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C19H18BrNO4/c1-2-4-16(22)14-10-17-18(25-8-7-24-17)11-15(14)21-19(23)12-5-3-6-13(20)9-12/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,21,23)

InChI Key

QICWDMGKENTCIJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-3.87

Polar Surface Area

51.702

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8017-4732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4732?
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What is the minimum amount of 8017-4732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4732
  • 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 8017-4732 available by request