8015-5125 Screening compound: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(isopropylamino)butyl]-1H-isoindole-1,3(2H)-dione

8015-5125 Screening compound: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(isopropylamino)butyl]-1H-isoindole-1,3(2H)-dione
8015-5125 Screening compound: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(isopropylamino)butyl]-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5125
2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(isopropylamino)butyl]-1H-isoindole-1,3(2H)-dione

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

8015-5125

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(isopropylamino)butyl]-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[4-(44-dimethyl-26-dioxocyclohexylidene)-4-[(propan-2-yl)amino]butyl]-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C)NC(CCCN(C(c1c2cccc1)=O)C2=O)=C(C(CC(C)(C)C1)=O)C1=O

InChI

InChI=1S/C23H28N2O4/c1-14(2)24-17(20-18(26)12-23(3,4)13-19(20)27)10-7-11-25-21(28)15-8-5-6-9-16(15)22(25)29/h5-6,8-9,14,24H,7,10-13H2,1-4H3

InChI Key

MRAUWNHGWLXMGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.22

Polar Surface Area

67.143

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

References: we are preparing a list of scientific research reports with 8015-5125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5125?
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What is the minimum amount of 8015-5125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5125
  • 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 8015-5125 available by request