0831-1154 Screening compound: methyl 2-{[(2-amino-5-bromophenyl)(phenyl)methyl]amino}acetate

0831-1154 Screening compound: methyl 2-{[(2-amino-5-bromophenyl)(phenyl)methyl]amino}acetate
0831-1154 Screening compound: methyl 2-{[(2-amino-5-bromophenyl)(phenyl)methyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1154
methyl 2-{[(2-amino-5-bromophenyl)(phenyl)methyl]amino}acetate

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

0831-1154

Molecular Formula

C16H17BrN2O2 (C16 H17 BrN2 O2)

Compound Name

methyl 2-{[(2-amino-5-bromophenyl)(phenyl)methyl]amino}acetate

IUPAC name

methyl 2-{[(2-amino-5-bromophenyl)(phenyl)methyl]amino}acetate

SMILES

COC(CNC(c1ccccc1)c(cc(cc1)Br)c1N)=O

InChI

InChI=1S/C16H17BrN2O2/c1-21-15(20)10-19-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18/h2-9,16,19H,10,18H2,1H3/t16-/m0/s1

InChI Key

NLBCFSCFNDCVCB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00981578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-3.01

Polar Surface Area

51.822

Acid Dissociation Constant (pKa)

20.06

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

0831-1154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1154?
Check Price and Availability of 0831-1154, 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 0831-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1154
  • 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 0831-1154 available by request