4323-7135 Screening compound: (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4323-7135 Screening compound: (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4323-7135 Screening compound: (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4323-7135
(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

4323-7135

Molecular Formula

C30H29NO6S (C30 H29 NO6 S)

Compound Name

(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

Cc(cc1)cc2c1OC=C(C1C(C(CC(C3)c4cccs4)=O)=C3NC(C)=C1C(OCC1OCCC1)=O)C2=O

InChI

InChI=1S/C30H29NO6S/c1-16-7-8-24-20(11-16)29(33)21(15-36-24)27-26(30(34)37-14-19-5-3-9-35-19)17(2)31-22-12-18(13-23(32)28(22)27)25-6-4-10-38-25/h4,6-8,10-11,15,18-19,27,31H,3,5,9,12-14H2,1-2H3

InChI Key

SMMNKVVVHMAHFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02868481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

-0.243

Water Solubility, LogSw

-4.32

Polar Surface Area

75.073

Acid Dissociation Constant (pKa)

2.87

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.70

4323-7135 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 4323-7135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4323-7135?
Check Price and Availability of 4323-7135, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4323-7135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4323-7135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4323-7135
  • 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 4323-7135 available by request