C620-0712 Screening compound: 5-{[3-(dimethylamino)propyl]amino}-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one

C620-0712 Screening compound: 5-{[3-(dimethylamino)propyl]amino}-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one
C620-0712 Screening compound: 5-{[3-(dimethylamino)propyl]amino}-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0712
5-{[3-(dimethylamino)propyl]amino}-3-(4-phenylpiperazino)-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

C620-0712

Molecular Formula

C29H31N5O2 (C29 H31 N5 O2)

Compound Name

5-{[3-(dimethylamino)propyl]amino}-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

10-{[3-(dimethylamino)propyl]amino}-12-(4-phenylpiperazin-1-yl)-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

CN(C)CCCNc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2c2ccccc2)c1C3=O

InChI

InChI=1S/C29H31N5O2/c1-32(2)14-8-13-30-23-19-24(34-17-15-33(16-18-34)20-9-4-3-5-10-20)27-26-25(23)28(35)21-11-6-7-12-22(21)29(26)36-31-27/h3-7,9-12,19,30H,8,13-18H2,1-2H3

InChI Key

HUGJBFBFTYNLEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.243

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-5.23

Polar Surface Area

55.108

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C620-0712 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C620-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0712?
Check Price and Availability of C620-0712, 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 C620-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0712
  • 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 C620-0712 available by request