8018-9674 Screening compound: N~1~-{7-[(4-bromophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-1-cyclopropanecarboxamide

8018-9674 Screening compound: N~1~-{7-[(4-bromophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-1-cyclopropanecarboxamide
8018-9674 Screening compound: N~1~-{7-[(4-bromophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9674
N~1~-{7-[(4-bromophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-1-cyclopropanecarboxamide

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

8018-9674

Molecular Formula

C19H18BrNO4 (C19 H18 BrNO4)

Compound Name

N~1~-{7-[(4-bromophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-1-cyclopropanecarboxamide

IUPAC name

N-{7-[(4-bromophenyl)(hydroxy)methyl]-23-dihydro-14-benzodioxin-6-yl}cyclopropanecarboxamide

SMILES

OC(c(cc1)ccc1Br)c(cc1OCCOc1c1)c1NC(C1CC1)=O

InChI

InChI=1S/C19H18BrNO4/c20-13-5-3-11(4-6-13)18(22)14-9-16-17(25-8-7-24-16)10-15(14)21-19(23)12-1-2-12/h3-6,9-10,12,18,22H,1-2,7-8H2,(H,21,23)/t18-/m0/s1

InChI Key

PXGTWCBDJCJHIS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08685712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-3.07

Polar Surface Area

54.391

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8018-9674 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9674?
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What is the minimum amount of 8018-9674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9674
  • 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 8018-9674 available by request