V014-0873 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[5-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanone

V014-0873 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[5-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanone
V014-0873 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[5-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0873
3,4-dihydro-2(1H)-isoquinolinyl[5-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanone

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

V014-0873

Molecular Formula

C24H24N4O2 (C24 H24 N4 O2)

Compound Name

3,4-dihydro-2(1H)-isoquinolinyl[5-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanone

IUPAC name

2-[5-(3-methylbenzoyl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc1cccc(C(N(CC2)Cc3c2[nH]nc3C(N(CC2)Cc3c2cccc3)=O)=O)c1

InChI

InChI=1S/C24H24N4O2/c1-16-5-4-8-18(13-16)23(29)28-12-10-21-20(15-28)22(26-25-21)24(30)27-11-9-17-6-2-3-7-19(17)14-27/h2-8,13H,9-12,14-15H2,1H3,(H,25,26)

InChI Key

QMOHRXPYEYRNAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937045

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.02

Polar Surface Area

57.891

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

V014-0873 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0873?
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What is the minimum amount of V014-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0873
  • 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 V014-0873 available by request