1487-0117 Screening compound: 2-bromo-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

1487-0117 Screening compound: 2-bromo-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
1487-0117 Screening compound: 2-bromo-3-methyl-N-(2,4,6-trimethylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1487-0117
2-bromo-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

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

1487-0117

Molecular Formula

C14H20BrNO (C14 H20 BrNO)

Compound Name

2-bromo-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

IUPAC name

2-bromo-3-methyl-N-(246-trimethylphenyl)butanamide

SMILES

CC(C)C(C(Nc1c(C)cc(C)cc1C)=O)Br

InChI

InChI=1S/C14H20BrNO/c1-8(2)12(15)14(17)16-13-10(4)6-9(3)7-11(13)5/h6-8,12H,1-5H3,(H,16,17)/t12-/m0/s1

InChI Key

SOVUGZMEWAQJGK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01531445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.07

Polar Surface Area

22.206

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1487-0117 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1487-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1487-0117?
Check Price and Availability of 1487-0117, 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 1487-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1487-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1487-0117
  • 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 1487-0117 available by request