1487-0102 Screening compound: 2-bromo-N-(2-ethoxyphenyl)-3-methylbutanamide

1487-0102 Screening compound: 2-bromo-N-(2-ethoxyphenyl)-3-methylbutanamide
1487-0102 Screening compound: 2-bromo-N-(2-ethoxyphenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1487-0102
2-bromo-N-(2-ethoxyphenyl)-3-methylbutanamide

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

1487-0102

Molecular Formula

C13H18BrNO2 (C13 H18 BrNO2)

Compound Name

2-bromo-N-(2-ethoxyphenyl)-3-methylbutanamide

IUPAC name

2-bromo-N-(2-ethoxyphenyl)-3-methylbutanamide

SMILES

CCOc(cccc1)c1NC(C(C(C)C)Br)=O

InChI

InChI=1S/C13H18BrNO2/c1-4-17-11-8-6-5-7-10(11)15-13(16)12(14)9(2)3/h5-9,12H,4H2,1-3H3,(H,15,16)/t12-/m0/s1

InChI Key

SCZFTFJUYSEHGZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01531444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-3.89

Polar Surface Area

30.114

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

1487-0102 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 1487-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1487-0102?
Check Price and Availability of 1487-0102, 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 1487-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1487-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1487-0102
  • 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 1487-0102 available by request