D426-1240 Screening compound: 2-[(9S)-9-(2-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]-3-methylbutanoic acid

D426-1240 Screening compound: 2-[(9S)-9-(2-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]-3-methylbutanoic acid
D426-1240 Screening compound: 2-[(9S)-9-(2-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D426-1240
2-[(9S)-9-(2-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]-3-methylbutanoic 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

D426-1240

Molecular Formula

C24H24N2O6S2 (C24 H24 N2 O6 S2)

Compound Name

2-[(9S)-9-(2-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-en-14-yl]-3-methylbutanoic acid

IUPAC name

2-[(9S)-9-(2-hydroxyphenyl)-61315-trioxo-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-en-14-yl]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)N(C(C(C(C1)C2C3c(cccc4)c4O)C4C1C2SC(N1)=C3SC1=O)=O)C4=O

InChI

InChI=1S/C24H24N2O6S2/c1-8(2)17(23(30)31)26-21(28)15-10-7-11(16(15)22(26)29)18-14(10)13(9-5-3-4-6-12(9)27)19-20(33-18)25-24(32)34-19/h3-6,8,10-11,13-18,27H,7H2,1-2H3,(H,25,32)(H,30,31)/t10?,11?,13-,14?,15?,16?,17?,18?/m1/s1

InChI Key

CXHOWVXUEZYAFS-LHDYHSBTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

-1.502

Water Solubility, LogSw

-2.79

Polar Surface Area

97.237

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

50.00

D426-1240 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D426-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D426-1240?
Check Price and Availability of D426-1240, 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 D426-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D426-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D426-1240
  • 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 D426-1240 available by request