3793-3996 Screening compound: 4-{[7-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid

3793-3996 Screening compound: 4-{[7-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid
3793-3996 Screening compound: 4-{[7-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3996
4-{[7-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic 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

3793-3996

Molecular Formula

C20H17ClN2O4 (C20 H17 ClN2 O4)

Compound Name

4-{[7-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid

IUPAC name

4-{[7-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid

SMILES

CCOC(c1cnc(c(C)c(cc2)Cl)c2c1Nc(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C20H17ClN2O4/c1-3-27-20(26)15-10-22-17-11(2)16(21)9-8-14(17)18(15)23-13-6-4-12(5-7-13)19(24)25/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)

InChI Key

VYQIVIBAMOIKBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.110

Distribution Coefficient, logD

2.715

Water Solubility, LogSw

-5.10

Polar Surface Area

66.540

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3793-3996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3996?
Check Price and Availability of 3793-3996, 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 3793-3996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3996
  • 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 3793-3996 available by request