3004-4885 Screening compound: tetrahydro-2-furanylmethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

3004-4885 Screening compound: tetrahydro-2-furanylmethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
3004-4885 Screening compound: tetrahydro-2-furanylmethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3004-4885
tetrahydro-2-furanylmethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

3004-4885

Molecular Formula

C25H25NO6 (C25 H25 NO6)

Compound Name

tetrahydro-2-furanylmethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2C3=COc(cccc4)c4C3=O)C1=O)=C2C(OCC1OCCC1)=O

InChI

InChI=1S/C25H25NO6/c1-14-21(25(29)32-12-15-6-5-11-30-15)22(23-18(26-14)8-4-9-19(23)27)17-13-31-20-10-3-2-7-16(20)24(17)28/h2-3,7,10,13,15,22,26H,4-6,8-9,11-12H2,1H3

InChI Key

RBNKVQVDBZDTJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

-1.545

Water Solubility, LogSw

-3.10

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3004-4885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4885?
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What is the minimum amount of 3004-4885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4885
  • 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 3004-4885 available by request