8012-5751 Screening compound: 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methylbut-3-yn-2-yl)hexanamide

8012-5751 Screening compound: 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methylbut-3-yn-2-yl)hexanamide
8012-5751 Screening compound: 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methylbut-3-yn-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5751
6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methylbut-3-yn-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

8012-5751

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methylbut-3-yn-2-yl)hexanamide

IUPAC name

6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(2-methylbut-3-yn-2-yl)hexanamide

SMILES

CC(C)(C#C)NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C19H22N2O3/c1-4-19(2,3)20-16(22)12-6-5-9-13-21-17(23)14-10-7-8-11-15(14)18(21)24/h1,7-8,10-11H,5-6,9,12-13H2,2-3H3,(H,20,22)

InChI Key

LIGMMYQCVZIJQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.967

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-2.73

Polar Surface Area

53.504

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8012-5751 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 8012-5751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5751?
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What is the minimum amount of 8012-5751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5751
  • 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 8012-5751 available by request