E710-0033 Screening compound: 4-(3-bromophenyl)-7,7-dimethyl-3-(4-methylphenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

E710-0033 Screening compound: 4-(3-bromophenyl)-7,7-dimethyl-3-(4-methylphenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
E710-0033 Screening compound: 4-(3-bromophenyl)-7,7-dimethyl-3-(4-methylphenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E710-0033
4-(3-bromophenyl)-7,7-dimethyl-3-(4-methylphenyl)-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

E710-0033

Molecular Formula

C25H24BrN3O (C25 H24 BrN3 O)

Compound Name

4-(3-bromophenyl)-7,7-dimethyl-3-(4-methylphenyl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

IUPAC name

4-(3-bromophenyl)-77-dimethyl-3-(4-methylphenyl)-1H4H5H6H7H8H9H-pyrazolo[34-b]quinolin-5-one

SMILES

CC(C)(C1)CC(Nc2c(C3c4cccc(Br)c4)c(-c4ccc(C)cc4)n[nH]2)=C3C1=O

InChI

InChI=1S/C25H24BrN3O/c1-14-7-9-15(10-8-14)23-22-20(16-5-4-6-17(26)11-16)21-18(27-24(22)29-28-23)12-25(2,3)13-19(21)30/h4-11,20H,12-13H2,1-3H3,(H2,27,28,29)/t20-/m0/s1

InChI Key

DHCQAVJXFGYASJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14911065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.840

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-5.47

Polar Surface Area

48.106

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

E710-0033 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E710-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E710-0033?
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What is the minimum amount of E710-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E710-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E710-0033
  • 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 E710-0033 available by request