4886-7628 Screening compound: benzyl 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

4886-7628 Screening compound: benzyl 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
4886-7628 Screening compound: benzyl 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 4886-7628
benzyl 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

4886-7628

Molecular Formula

C32H27NO5S (C32 H27 NO5 S)

Compound Name

benzyl 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

benzyl 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(OCc1ccccc1)=O)C2=O

InChI

InChI=1S/C32H27NO5S/c1-18-10-11-26-22(13-18)31(35)23(17-37-26)29-28(32(36)38-16-20-7-4-3-5-8-20)19(2)33-24-14-21(15-25(34)30(24)29)27-9-6-12-39-27/h3-13,17,21,29,33H,14-16H2,1-2H3

InChI Key

IFBHOLABXZQMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03371091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.789

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-5.56

Polar Surface Area

66.419

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

4886-7628 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 4886-7628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4886-7628?
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What is the minimum amount of 4886-7628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4886-7628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4886-7628
  • 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 4886-7628 available by request