6574-0003 Screening compound: 3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

6574-0003 Screening compound: 3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
6574-0003 Screening compound: 3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6574-0003
3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-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

6574-0003

Molecular Formula

C29H25N5O3S2 (C29 H25 N5 O3 S2)

Compound Name

3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

3-amino-4-(4-methoxyphenyl)-77-dimethyl-5-oxo-N-(5-phenyl-124-thiadiazol-3-yl)-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide

SMILES

CC(C)(Cc1nc(sc(C(Nc2nsc(-c3ccccc3)n2)=O)c2N)c2c(-c(cc2)ccc2OC)c11)CC1=O

InChI

InChI=1S/C29H25N5O3S2/c1-29(2)13-18-21(19(35)14-29)20(15-9-11-17(37-3)12-10-15)22-23(30)24(38-27(22)31-18)25(36)32-28-33-26(39-34-28)16-7-5-4-6-8-16/h4-12H,13-14,30H2,1-3H3,(H,32,34,36)

InChI Key

NNSCHIDEGFXSEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.265

Distribution Coefficient, logD

6.265

Water Solubility, LogSw

-6.00

Polar Surface Area

96.059

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

6574-0003 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6574-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6574-0003?
Check Price and Availability of 6574-0003, 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 6574-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6574-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6574-0003
  • 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 6574-0003 available by request