0111-0056 Screening compound: methyl 2-(adamantan-1-yl)-2,2-dibromoacetate

0111-0056 Screening compound: methyl 2-(adamantan-1-yl)-2,2-dibromoacetate
0111-0056 Screening compound: methyl 2-(adamantan-1-yl)-2,2-dibromoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0056
methyl 2-(adamantan-1-yl)-2,2-dibromoacetate

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

0111-0056

Molecular Formula

C13H18Br2O2 (C13 H18 Br2 O2)

Compound Name

methyl 2-(adamantan-1-yl)-2,2-dibromoacetate

IUPAC name

methyl 2-(adamantan-1-yl)-22-dibromoacetate

SMILES

COC(C(C1(CC(C2)C3)CC3CC2C1)(Br)Br)=O

InChI

InChI=1S/C13H18Br2O2/c1-17-11(16)13(14,15)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3

InChI Key

NTOIOVLHLQXXMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

5.117

Water Solubility, LogSw

-5.10

Polar Surface Area

21.446

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

92.30

References: we are preparing a list of scientific research reports with 0111-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0056?
Check Price and Availability of 0111-0056, 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 0111-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0056
  • 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 0111-0056 available by request