1438-0132 Screening compound: 2-bromo-1-(3-methyladamantan-1-yl)ethan-1-one

1438-0132 Screening compound: 2-bromo-1-(3-methyladamantan-1-yl)ethan-1-one
1438-0132 Screening compound: 2-bromo-1-(3-methyladamantan-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1438-0132
2-bromo-1-(3-methyladamantan-1-yl)ethan-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

1438-0132

Molecular Formula

C13H19BrO (C13 H19 BrO)

Compound Name

2-bromo-1-(3-methyladamantan-1-yl)ethan-1-one

IUPAC name

2-bromo-1-(3-methyladamantan-1-yl)ethan-1-one

SMILES

CC(CC(C1)C2)(CC1C1)CC12C(CBr)=O

InChI

InChI=1S/C13H19BrO/c1-12-3-9-2-10(4-12)6-13(5-9,8-12)11(15)7-14/h9-10H,2-8H2,1H3

InChI Key

LKQAVEHERLIMFA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.17

Polar Surface Area

13.519

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

92.30

1438-0132 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1438-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1438-0132?
Check Price and Availability of 1438-0132, 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 1438-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1438-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1438-0132
  • 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 1438-0132 available by request