C620-0598 Screening compound: 5-[4-(2-furylcarbonyl)piperazino]-3-[4-(2-pyrimidinyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one

C620-0598 Screening compound: 5-[4-(2-furylcarbonyl)piperazino]-3-[4-(2-pyrimidinyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one
C620-0598 Screening compound: 5-[4-(2-furylcarbonyl)piperazino]-3-[4-(2-pyrimidinyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0598
5-[4-(2-furylcarbonyl)piperazino]-3-[4-(2-pyrimidinyl)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

C620-0598

Molecular Formula

C31H27N7O4 (C31 H27 N7 O4)

Compound Name

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

IUPAC name

10-[4-(furan-2-carbonyl)piperazin-1-yl]-12-[4-(pyrimidin-2-yl)piperazin-1-yl]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

O=C(c1ccco1)N(CC1)CCN1c(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2c2ncccn2)c1C3=O

InChI

InChI=1S/C31H27N7O4/c39-28-20-5-1-2-6-21(20)29-26-25(28)22(35-10-14-37(15-11-35)30(40)24-7-3-18-41-24)19-23(27(26)34-42-29)36-12-16-38(17-13-36)31-32-8-4-9-33-31/h1-9,18-19H,10-17H2

InChI Key

OCAYGWZGGKGMKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.92

Polar Surface Area

88.141

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C620-0598 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C620-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0598?
Check Price and Availability of C620-0598, 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 C620-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0598
  • 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 C620-0598 available by request