3014-4925 Screening compound: 2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3014-4925 Screening compound: 2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3014-4925 Screening compound: 2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4925
2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-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

3014-4925

Molecular Formula

C30H28ClNO6 (C30 H28 ClNO6)

Compound Name

2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2C3=COc(ccc(Cl)c4)c4C3=O)C(OCCOc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C30H28ClNO6/c1-17-25(29(35)37-12-11-36-19-7-5-4-6-8-19)26(27-22(32-17)14-30(2,3)15-23(27)33)21-16-38-24-10-9-18(31)13-20(24)28(21)34/h4-10,13,16,26,32H,11-12,14-15H2,1-3H3/t26-/m0/s1

InChI Key

UVFIGMDKSMTZMQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD01825079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-5.53

Polar Surface Area

73.008

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3014-4925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4925?
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What is the minimum amount of 3014-4925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4925
  • 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 3014-4925 available by request