1706-0179 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

1706-0179 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate
1706-0179 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1706-0179
2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

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

1706-0179

Molecular Formula

C30H23BrN2O7 (C30 H23 BrN2 O7)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 26-bis(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanoate

SMILES

O=C(COC(C(CCCCN(C(c1c2cccc1)=O)C2=O)N(C(c1c2cccc1)=O)C2=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C30H23BrN2O7/c31-19-14-12-18(13-15-19)25(34)17-40-30(39)24(33-28(37)22-9-3-4-10-23(22)29(33)38)11-5-6-16-32-26(35)20-7-1-2-8-21(20)27(32)36/h1-4,7-10,12-15,24H,5-6,11,16-17H2/t24-/m0/s1

InChI Key

RGQHLGRSELAKTL-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01046658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-4.92

Polar Surface Area

92.024

Acid Dissociation Constant (pKa)

21.48

Base Dissociation Constant (pKb)

-6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1706-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1706-0179?
Check Price and Availability of 1706-0179, 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 1706-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1706-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1706-0179
  • 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 1706-0179 available by request