0KPI-0015 Screening compound: 2-(3-bromoadamantan-1-yl)acetic acid

0KPI-0015 Screening compound: 2-(3-bromoadamantan-1-yl)acetic acid
0KPI-0015 Screening compound: 2-(3-bromoadamantan-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0015
2-(3-bromoadamantan-1-yl)acetic acid

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

0KPI-0015

Molecular Formula

C12H17BrO2 (C12 H17 BrO2)

Compound Name

2-(3-bromoadamantan-1-yl)acetic acid

IUPAC name

2-(3-bromoadamantan-1-yl)acetic acid

SMILES

OC(CC(CC(C1)C2)(CC1C1)CC12Br)=O

InChI

InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)

InChI Key

HFGLWCBEPPFDDJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

0.261

Water Solubility, LogSw

-2.84

Polar Surface Area

28.656

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

91.70

0KPI-0015 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 0KPI-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0015?
Check Price and Availability of 0KPI-0015, 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 0KPI-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0015
  • 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 0KPI-0015 available by request