D008-0140 Screening compound: 4-[9-(4-methoxyphenyl)-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]butanoic acid

D008-0140 Screening compound: 4-[9-(4-methoxyphenyl)-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]butanoic acid
D008-0140 Screening compound: 4-[9-(4-methoxyphenyl)-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]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D008-0140
4-[9-(4-methoxyphenyl)-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]butanoic 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

D008-0140

Molecular Formula

C24H24N2O6S2 (C24 H24 N2 O6 S2)

Compound Name

4-[9-(4-methoxyphenyl)-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]butanoic acid

IUPAC name

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

SMILES

COc1ccc(C2C(SC(N3)=O)=C3SC(C(C3)C4C(N5CCCC(O)=O)=O)C2C3C4C5=O)cc1

InChI

InChI=1S/C24H24N2O6S2/c1-32-11-6-4-10(5-7-11)15-16-12-9-13(19(16)33-21-20(15)34-24(31)25-21)18-17(12)22(29)26(23(18)30)8-2-3-14(27)28/h4-7,12-13,15-19H,2-3,8-9H2,1H3,(H,25,31)(H,27,28)

InChI Key

PVTXWLUCAKHKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

-0.992

Water Solubility, LogSw

-2.40

Polar Surface Area

89.225

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

50.00

D008-0140 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D008-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0140?
Check Price and Availability of D008-0140, 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 D008-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0140
  • 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 D008-0140 available by request