4296-0880 Screening compound: 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

4296-0880 Screening compound: 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
4296-0880 Screening compound: 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0880
3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

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

4296-0880

Molecular Formula

C20H18ClN3O2S (C20 H18 ClN3 O2 S)

Compound Name

3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

3-amino-N-(4-chlorophenyl)-77-dimethyl-5-oxo-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide

SMILES

CC(C)(Cc(c1c2)nc3c2c(N)c(C(Nc(cc2)ccc2Cl)=O)s3)CC1=O

InChI

InChI=1S/C20H18ClN3O2S/c1-20(2)8-14-12(15(25)9-20)7-13-16(22)17(27-19(13)24-14)18(26)23-11-5-3-10(21)4-6-11/h3-7H,8-9,22H2,1-2H3,(H,23,26)

InChI Key

IPCPKYPXYRGGCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03001010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.69

Polar Surface Area

67.106

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4296-0880 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4296-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0880?
Check Price and Availability of 4296-0880, 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 4296-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0880
  • 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 4296-0880 available by request