3939-0010 Screening compound: 3-{[4-(2-hydroxyethyl)piperazino]carbonyl}-1-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione

3939-0010 Screening compound: 3-{[4-(2-hydroxyethyl)piperazino]carbonyl}-1-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
3939-0010 Screening compound: 3-{[4-(2-hydroxyethyl)piperazino]carbonyl}-1-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3939-0010
3-{[4-(2-hydroxyethyl)piperazino]carbonyl}-1-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione

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

3939-0010

Molecular Formula

C25H31N3O5 (C25 H31 N3 O5)

Compound Name

3-{[4-(2-hydroxyethyl)piperazino]carbonyl}-1-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione

IUPAC name

3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)-77-dimethyl-125678-hexahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(N2CCN(CCO)CC2)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C25H31N3O5/c1-25(2)15-21-19(22(30)16-25)14-20(23(31)27-10-8-26(9-11-27)12-13-29)24(32)28(21)17-4-6-18(33-3)7-5-17/h4-7,14,29H,8-13,15-16H2,1-3H3

InChI Key

KEFHGMKAPFKVCQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.066

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-1.95

Polar Surface Area

73.218

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

3939-0010 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3939-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3939-0010?
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What is the minimum amount of 3939-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3939-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3939-0010
  • 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 3939-0010 available by request