3787-5872 Screening compound: propan-2-yl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3787-5872 Screening compound: propan-2-yl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3787-5872 Screening compound: propan-2-yl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3787-5872
propan-2-yl 4-(4-hydroxy-3,5-dimethoxyphenyl)-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

3787-5872

Molecular Formula

C22H27NO6 (C22 H27 NO6)

Compound Name

propan-2-yl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(4-hydroxy-35-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cc2OC)cc(OC)c2O)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H27NO6/c1-11(2)29-22(26)18-12(3)23-14-7-6-8-15(24)20(14)19(18)13-9-16(27-4)21(25)17(10-13)28-5/h9-11,19,23,25H,6-8H2,1-5H3/t19-/m0/s1

InChI Key

CUADCOLSNAOSOS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02105268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

-1.129

Water Solubility, LogSw

-3.02

Polar Surface Area

75.094

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

3787-5872 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3787-5872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3787-5872?
Check Price and Availability of 3787-5872, 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 3787-5872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3787-5872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3787-5872
  • 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 3787-5872 available by request