8015-6590 Screening compound: 1-ethyl-6-fluoro-4-oxo-7-(4-{[(9H-xanthen-9-ylcarbonyl)amino]carbothioyl}piperazino)-1,4-dihydro-3-quinolinecarboxylic acid

8015-6590 Screening compound: 1-ethyl-6-fluoro-4-oxo-7-(4-{[(9H-xanthen-9-ylcarbonyl)amino]carbothioyl}piperazino)-1,4-dihydro-3-quinolinecarboxylic acid
8015-6590 Screening compound: 1-ethyl-6-fluoro-4-oxo-7-(4-{[(9H-xanthen-9-ylcarbonyl)amino]carbothioyl}piperazino)-1,4-dihydro-3-quinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6590
1-ethyl-6-fluoro-4-oxo-7-(4-{[(9H-xanthen-9-ylcarbonyl)amino]carbothioyl}piperazino)-1,4-dihydro-3-quinolinecarboxylic 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

8015-6590

Molecular Formula

C31H27FN4O5S (C31 H27 FN4 O5 S)

Compound Name

1-ethyl-6-fluoro-4-oxo-7-(4-{[(9H-xanthen-9-ylcarbonyl)amino]carbothioyl}piperazino)-1,4-dihydro-3-quinolinecarboxylic acid

IUPAC name

1-ethyl-6-fluoro-4-oxo-7-(4-{[(9H-xanthen-9-yl)formamido]methanethioyl}piperazin-1-yl)-14-dihydroquinoline-3-carboxylic acid

SMILES

CCN(C=C(C(O)=O)C(c1c2)=O)c1cc(N(CC1)CCN1C(NC(C1c(cccc3)c3Oc3c1cccc3)=O)=S)c2F

InChI

InChI=1S/C31H27FN4O5S/c1-2-34-17-21(30(39)40)28(37)20-15-22(32)24(16-23(20)34)35-11-13-36(14-12-35)31(42)33-29(38)27-18-7-3-5-9-25(18)41-26-10-6-4-8-19(26)27/h3-10,15-17,27H,2,11-14H2,1H3,(H,39,40)(H,33,38,42)

InChI Key

XUKHZTSOLQEOLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03690498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

-5.002

Water Solubility, LogSw

-3.59

Polar Surface Area

78.817

Acid Dissociation Constant (pKa)

-0.52

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.58

8015-6590 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8015-6590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6590?
Check Price and Availability of 8015-6590, 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 8015-6590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6590
  • 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 8015-6590 available by request