4985-0021 Screening compound: 3,7,7-trimethyl-4-(3-nitrophenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

4985-0021 Screening compound: 3,7,7-trimethyl-4-(3-nitrophenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
4985-0021 Screening compound: 3,7,7-trimethyl-4-(3-nitrophenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4985-0021
3,7,7-trimethyl-4-(3-nitrophenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-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

4985-0021

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

3,7,7-trimethyl-4-(3-nitrophenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

IUPAC name

377-trimethyl-4-(3-nitrophenyl)-1H4H5H6H7H8H9H-pyrazolo[34-b]quinolin-5-one

SMILES

CC(C)(C1)CC(Nc2c(C3c4cccc([N+]([O-])=O)c4)c(C)n[nH]2)=C3C1=O

InChI

InChI=1S/C19H20N4O3/c1-10-15-16(11-5-4-6-12(7-11)23(25)26)17-13(20-18(15)22-21-10)8-19(2,3)9-14(17)24/h4-7,16H,8-9H2,1-3H3,(H2,20,21,22)/t16-/m1/s1

InChI Key

MJOKNBNGWWCBCZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03448185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.37

Polar Surface Area

81.565

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

4985-0021 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4985-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4985-0021?
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What is the minimum amount of 4985-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4985-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4985-0021
  • 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 4985-0021 available by request