3004-4894 Screening compound: 2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3004-4894 Screening compound: 2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3004-4894 Screening compound: 2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3004-4894
2-phenoxyethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-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

3004-4894

Molecular Formula

C28H24ClNO6 (C28 H24 ClNO6)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2C3=COc(ccc(Cl)c4)c4C3=O)C1=O)=C2C(OCCOc1ccccc1)=O

InChI

InChI=1S/C28H24ClNO6/c1-16-24(28(33)35-13-12-34-18-6-3-2-4-7-18)25(26-21(30-16)8-5-9-22(26)31)20-15-36-23-11-10-17(29)14-19(23)27(20)32/h2-4,6-7,10-11,14-15,25,30H,5,8-9,12-13H2,1H3/t25-/m0/s1

InChI Key

OGEMPVYFCGCLAI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01824526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.95

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

4.635

Distribution Coefficient, logD

0.550

Water Solubility, LogSw

-4.75

Polar Surface Area

73.008

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3004-4894 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3004-4894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4894?
Check Price and Availability of 3004-4894, 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 3004-4894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4894
  • 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 3004-4894 available by request