8012-7715 Screening compound: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

8012-7715 Screening compound: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide
8012-7715 Screening compound: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7715
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

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

8012-7715

Molecular Formula

C25H26BrN3O3 (C25 H26 BrN3 O3)

Compound Name

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

IUPAC name

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamide

SMILES

Cc1c(CCNC(CCCCCN(C(c2c3cccc2)=O)C3=O)=O)c(cc(cc2)Br)c2[nH]1

InChI

InChI=1S/C25H26BrN3O3/c1-16-18(21-15-17(26)10-11-22(21)28-16)12-13-27-23(30)9-3-2-6-14-29-24(31)19-7-4-5-8-20(19)25(29)32/h4-5,7-8,10-11,15,28H,2-3,6,9,12-14H2,1H3,(H,27,30)

InChI Key

VHNRRDVYMHNERC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.08

Polar Surface Area

63.709

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

8012-7715 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8012-7715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7715?
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What is the minimum amount of 8012-7715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7715
  • 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 8012-7715 available by request