3366-3830 Screening compound: propan-2-yl 2-[2-(4-chlorophenyl)quinoline-4-amido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

3366-3830 Screening compound: propan-2-yl 2-[2-(4-chlorophenyl)quinoline-4-amido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
3366-3830 Screening compound: propan-2-yl 2-[2-(4-chlorophenyl)quinoline-4-amido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-3830
propan-2-yl 2-[2-(4-chlorophenyl)quinoline-4-amido]-5-(diethylcarbamoyl)-4-methylthiophene-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

3366-3830

Molecular Formula

C30H30ClN3O4S (C30 H30 ClN3 O4 S)

Compound Name

propan-2-yl 2-[2-(4-chlorophenyl)quinoline-4-amido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

IUPAC name

propan-2-yl 2-[2-(4-chlorophenyl)quinoline-4-amido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OC(C)C)=O)c(NC(c2cc(-c(cc3)ccc3Cl)nc3ccccc23)=O)s1)=O

InChI

InChI=1S/C30H30ClN3O4S/c1-6-34(7-2)29(36)26-18(5)25(30(37)38-17(3)4)28(39-26)33-27(35)22-16-24(19-12-14-20(31)15-13-19)32-23-11-9-8-10-21(22)23/h8-17H,6-7H2,1-5H3,(H,33,35)

InChI Key

SJJIQDQVRRCOCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.924

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-6.33

Polar Surface Area

67.548

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

3366-3830 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3366-3830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-3830?
Check Price and Availability of 3366-3830, 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 3366-3830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-3830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-3830
  • 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 3366-3830 available by request