V020-8990 Screening compound: 1-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(2-nitrophenyl)ethan-1-one

V020-8990 Screening compound: 1-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(2-nitrophenyl)ethan-1-one
V020-8990 Screening compound: 1-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(2-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8990
1-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(2-nitrophenyl)ethan-1-one

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

V020-8990

Molecular Formula

C26H28N6O4 (C26 H28 N6 O4)

Compound Name

1-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(2-nitrophenyl)ethan-1-one

IUPAC name

1-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-(2-nitrophenyl)ethan-1-one

SMILES

Cc(cccc1)c1N(CC1)CCN1C(c1n[nH]c(CC2)c1CN2C(Cc(cccc1)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C26H28N6O4/c1-18-6-2-4-8-22(18)29-12-14-30(15-13-29)26(34)25-20-17-31(11-10-21(20)27-28-25)24(33)16-19-7-3-5-9-23(19)32(35)36/h2-9H,10-17H2,1H3,(H,27,28)

InChI Key

KMVLYUAACPTWFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937200

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.52

Polar Surface Area

93.742

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V020-8990 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 V020-8990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8990?
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What is the minimum amount of V020-8990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8990
  • 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 V020-8990 available by request