5915-0606 Screening compound: 9-(3,4-dimethoxyphenyl)-14-[3-(trifluoromethyl)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione

5915-0606 Screening compound: 9-(3,4-dimethoxyphenyl)-14-[3-(trifluoromethyl)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione
5915-0606 Screening compound: 9-(3,4-dimethoxyphenyl)-14-[3-(trifluoromethyl)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5915-0606
9-(3,4-dimethoxyphenyl)-14-[3-(trifluoromethyl)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione

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

5915-0606

Molecular Formula

C28H23F3N2O5S2 (C28 H23 F3 N2 O5 S2)

Compound Name

9-(3,4-dimethoxyphenyl)-14-[3-(trifluoromethyl)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione

IUPAC name

9-(34-dimethoxyphenyl)-14-[3-(trifluoromethyl)phenyl]-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-ene-61315-trione

SMILES

COc(ccc(C1C(SC(N2)=O)=C2SC(C(C2)C3C(N4c5cc(C(F)(F)F)ccc5)=O)C1C2C3C4=O)c1)c1OC

InChI

InChI=1S/C28H23F3N2O5S2/c1-37-16-7-6-11(8-17(16)38-2)18-19-14-10-15(22(19)39-24-23(18)40-27(36)32-24)21-20(14)25(34)33(26(21)35)13-5-3-4-12(9-13)28(29,30)31/h3-9,14-15,18-22H,10H2,1-2H3,(H,32,36)

InChI Key

ZRHNDXUCRVWZDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03677034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.52

Polar Surface Area

67.697

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

39.30

5915-0606 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5915-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5915-0606?
Check Price and Availability of 5915-0606, 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 5915-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5915-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5915-0606
  • 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 5915-0606 available by request