3429-0017 Screening compound: METHYL 2-(6-BROMO-2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YL)ACETATE

3429-0017 Screening compound: METHYL 2-(6-BROMO-2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YL)ACETATE
3429-0017 Screening compound: METHYL 2-(6-BROMO-2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YL)ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3429-0017
METHYL 2-(6-BROMO-2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YL)ACETATE

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

3429-0017

Molecular Formula

C18H14BrNO3 (C18 H14 BrNO3)

Compound Name

METHYL 2-(6-BROMO-2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YL)ACETATE

IUPAC name

n/a

SMILES

COC(CC1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O)=O

InChI

InChI=1S/C18H14BrNO3/c1-23-16(21)10-14-17(11-5-3-2-4-6-11)13-9-12(19)7-8-15(13)20-18(14)22/h2-9H,10H2,1H3,(H,20,22)

InChI Key

YMHJTCYLFAOJLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.975

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.27

Polar Surface Area

45.423

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

3429-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3429-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3429-0017?
Check Price and Availability of 3429-0017, 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 3429-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3429-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3429-0017
  • 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 3429-0017 available by request