8012-5977 Screening compound: 5-bromo-N~3~-cyclododecylnicotinamide

8012-5977 Screening compound: 5-bromo-N~3~-cyclododecylnicotinamide
8012-5977 Screening compound: 5-bromo-N~3~-cyclododecylnicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5977
5-bromo-N~3~-cyclododecylnicotinamide

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

8012-5977

Molecular Formula

C18H27BrN2O (C18 H27 BrN2 O)

Compound Name

5-bromo-N~3~-cyclododecylnicotinamide

IUPAC name

5-bromo-N-cyclododecylpyridine-3-carboxamide

SMILES

O=C(c1cc(Br)cnc1)NC1CCCCCCCCCCC1

InChI

InChI=1S/C18H27BrN2O/c19-16-12-15(13-20-14-16)18(22)21-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-14,17H,1-11H2,(H,21,22)

InChI Key

DQKKOSWEAYBEQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01869229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.910

Distribution Coefficient, logD

5.910

Water Solubility, LogSw

-5.56

Polar Surface Area

34.316

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with 8012-5977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5977?
Check Price and Availability of 8012-5977, 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 8012-5977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5977
  • 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 8012-5977 available by request