3788-1431 Screening compound: 4-(ethoxycarbonyl)-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-7-carboxylic acid

3788-1431 Screening compound: 4-(ethoxycarbonyl)-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-7-carboxylic acid
3788-1431 Screening compound: 4-(ethoxycarbonyl)-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-1431
4-(ethoxycarbonyl)-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-7-carboxylic acid

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

3788-1431

Molecular Formula

C17H19NO4 (C17 H19 NO4)

Compound Name

4-(ethoxycarbonyl)-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-7-carboxylic acid

IUPAC name

4-(ethoxycarbonyl)-6-methyl-3H3aH4H5H9bH-cyclopenta[c]quinoline-7-carboxylic acid

SMILES

CCOC(C(C1C2C=CC1)Nc1c2ccc(C(O)=O)c1C)=O

InChI

InChI=1S/C17H19NO4/c1-3-22-17(21)15-12-6-4-5-11(12)13-8-7-10(16(19)20)9(2)14(13)18-15/h4-5,7-8,11-12,15,18H,3,6H2,1-2H3,(H,19,20)

InChI Key

HIUULZSOZXWEKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

0.777

Water Solubility, LogSw

-3.22

Polar Surface Area

59.503

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.20

3788-1431 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3788-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-1431?
Check Price and Availability of 3788-1431, 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 3788-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-1431
  • 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 3788-1431 available by request