8017-7079 Screening compound: 3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-N~1~-[5-({3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-2-oxopropanoyl}amino)pentyl]-2-oxopropanamide

8017-7079 Screening compound: 3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-N~1~-[5-({3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-2-oxopropanoyl}amino)pentyl]-2-oxopropanamide
8017-7079 Screening compound: 3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-N~1~-[5-({3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-2-oxopropanoyl}amino)pentyl]-2-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7079
3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-N~1~-[5-({3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-2-oxopropanoyl}amino)pentyl]-2-oxopropanamide

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

8017-7079

Molecular Formula

C33H40N4O4 (C33 H40 N4 O4)

Compound Name

3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-N~1~-[5-({3-[3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinyliden]-2-oxopropanoyl}amino)pentyl]-2-oxopropanamide

IUPAC name

3-[(1Z)-33-dimethyl-1234-tetrahydroisoquinolin-1-ylidene]-N-(5-{3-[(1E)-33-dimethyl-1234-tetrahydroisoquinolin-1-ylidene]-2-oxopropanamido}pentyl)-2-oxopropanamide

SMILES

CC(C)(Cc1c2cccc1)N/C2=C/C(C(NCCCCCNC(C(/C=C1\NC(C)(C)Cc2c1cccc2)=O)=O)=O)=O

InChI

InChI=1S/C33H40N4O4/c1-32(2)20-22-12-6-8-14-24(22)26(36-32)18-28(38)30(40)34-16-10-5-11-17-35-31(41)29(39)19-27-25-15-9-7-13-23(25)21-33(3,4)37-27/h6-9,12-15,18-19,36-37H,5,10-11,16-17,20-21H2,1-4H3,(H,34,40)(H,35,41)

InChI Key

AZQMQDLBIZOQBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.32

Polar Surface Area

97.559

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.39

8017-7079 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8017-7079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7079?
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What is the minimum amount of 8017-7079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7079
  • 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 8017-7079 available by request