0100-0051 Screening compound: 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one

0100-0051 Screening compound: 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
0100-0051 Screening compound: 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0100-0051
1-(4-bromophenyl)-3-(dimethylamino)propan-1-one

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

0100-0051

Molecular Formula

C11H14BrNO (C11 H14 BrNO)

Compound Name

1-(4-bromophenyl)-3-(dimethylamino)propan-1-one

IUPAC name

1-(4-bromophenyl)-3-(dimethylamino)propan-1-one

SMILES

CN(C)CCC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C11H14BrNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3

InChI Key

RSRQDUSONVRSMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00456294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.14

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

2.030

Water Solubility, LogSw

-3.05

Polar Surface Area

17.351

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0100-0051 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Human Kinases Annotated Library (2415 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 0100-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0100-0051?
Check Price and Availability of 0100-0051, 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 0100-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0100-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0100-0051
  • 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 0100-0051 available by request