C125-1160 Screening compound: 4-(diethylamino)-N-[1-oxo-4-(4-phenylpiperazine-1-carbonyl)-1,2-dihydroisoquinolin-2-yl]benzamide

C125-1160 Screening compound: 4-(diethylamino)-N-[1-oxo-4-(4-phenylpiperazine-1-carbonyl)-1,2-dihydroisoquinolin-2-yl]benzamide
C125-1160 Screening compound: 4-(diethylamino)-N-[1-oxo-4-(4-phenylpiperazine-1-carbonyl)-1,2-dihydroisoquinolin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C125-1160
4-(diethylamino)-N-[1-oxo-4-(4-phenylpiperazine-1-carbonyl)-1,2-dihydroisoquinolin-2-yl]benzamide

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

C125-1160

Molecular Formula

C31H33N5O3 (C31 H33 N5 O3)

Compound Name

4-(diethylamino)-N-[1-oxo-4-(4-phenylpiperazine-1-carbonyl)-1,2-dihydroisoquinolin-2-yl]benzamide

IUPAC name

4-(diethylamino)-N-[1-oxo-4-(4-phenylpiperazine-1-carbonyl)-12-dihydroisoquinolin-2-yl]benzamide

SMILES

CCN(CC)c(cc1)ccc1C(NN(C=C(C(N(CC1)CCN1c1ccccc1)=O)c1c2cccc1)C2=O)=O

InChI

InChI=1S/C31H33N5O3/c1-3-33(4-2)25-16-14-23(15-17-25)29(37)32-36-22-28(26-12-8-9-13-27(26)31(36)39)30(38)35-20-18-34(19-21-35)24-10-6-5-7-11-24/h5-17,22H,3-4,18-21H2,1-2H3,(H,32,37)

InChI Key

LLJQYGKBSVWILR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.69

Polar Surface Area

64.706

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C125-1160 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C125-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C125-1160?
Check Price and Availability of C125-1160, 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 C125-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C125-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C125-1160
  • 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 C125-1160 available by request