1630-1478 Screening compound: pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1478 Screening compound: pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1478 Screening compound: pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1478
pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-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

1630-1478

Molecular Formula

C25H32BrNO5 (C25 H32 BrNO5)

Compound Name

pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCCOC(C(C1c(cc2OC)cc(Br)c2O)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C25H32BrNO5/c1-6-7-8-9-32-24(30)20-14(2)27-17-12-25(3,4)13-18(28)22(17)21(20)15-10-16(26)23(29)19(11-15)31-5/h10-11,21,27,29H,6-9,12-13H2,1-5H3/t21-/m0/s1

InChI Key

FTGKDDATEWFQEL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00753180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-5.02

Polar Surface Area

68.079

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1630-1478 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-1478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1478?
Check Price and Availability of 1630-1478, 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 1630-1478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1478
  • 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 1630-1478 available by request