C090-0279 Screening compound: 5-(3-fluoroanilino)-3-[4-(2-furylcarbonyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one

C090-0279 Screening compound: 5-(3-fluoroanilino)-3-[4-(2-furylcarbonyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one
C090-0279 Screening compound: 5-(3-fluoroanilino)-3-[4-(2-furylcarbonyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0279
5-(3-fluoroanilino)-3-[4-(2-furylcarbonyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one

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

C090-0279

Molecular Formula

C29H21FN4O4 (C29 H21 FN4 O4)

Compound Name

5-(3-fluoroanilino)-3-[4-(2-furylcarbonyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

10-[(3-fluorophenyl)amino]-12-[4-(furan-2-carbonyl)piperazin-1-yl]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

O=C(c1ccco1)N(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(Nc2cccc(F)c2)c1C3=O

InChI

InChI=1S/C29H21FN4O4/c30-17-5-3-6-18(15-17)31-21-16-22(33-10-12-34(13-11-33)29(36)23-9-4-14-37-23)26-25-24(21)27(35)19-7-1-2-8-20(19)28(25)38-32-26/h1-9,14-16,31H,10-13H2

InChI Key

IRALLLXMHSBLNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.065

Distribution Coefficient, logD

6.065

Water Solubility, LogSw

-6.19

Polar Surface Area

71.581

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C090-0279 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C090-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0279?
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What is the minimum amount of C090-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0279
  • 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 C090-0279 available by request