2159-3788 Screening compound: cyclohexyl 4-{[2-(4-bromophenoxy)acetyl]amino}benzoate

2159-3788 Screening compound: cyclohexyl 4-{[2-(4-bromophenoxy)acetyl]amino}benzoate
2159-3788 Screening compound: cyclohexyl 4-{[2-(4-bromophenoxy)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-3788
cyclohexyl 4-{[2-(4-bromophenoxy)acetyl]amino}benzoate

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

2159-3788

Molecular Formula

C21H22BrNO4 (C21 H22 BrNO4)

Compound Name

cyclohexyl 4-{[2-(4-bromophenoxy)acetyl]amino}benzoate

IUPAC name

cyclohexyl 4-[2-(4-bromophenoxy)acetamido]benzoate

SMILES

O=C(COc(cc1)ccc1Br)Nc(cc1)ccc1C(OC1CCCCC1)=O

InChI

InChI=1S/C21H22BrNO4/c22-16-8-12-18(13-9-16)26-14-20(24)23-17-10-6-15(7-11-17)21(25)27-19-4-2-1-3-5-19/h6-13,19H,1-5,14H2,(H,23,24)

InChI Key

ZCXKBUFTMAMQBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.697

Distribution Coefficient, logD

5.697

Water Solubility, LogSw

-5.84

Polar Surface Area

50.699

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

2159-3788 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 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
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 2159-3788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-3788?
Check Price and Availability of 2159-3788, 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 2159-3788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-3788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-3788
  • 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 2159-3788 available by request