D008-0110 Screening compound: 14-(4-chlorophenyl)-9-(4-methylphenyl)-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

D008-0110 Screening compound: 14-(4-chlorophenyl)-9-(4-methylphenyl)-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
D008-0110 Screening compound: 14-(4-chlorophenyl)-9-(4-methylphenyl)-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 D008-0110
14-(4-chlorophenyl)-9-(4-methylphenyl)-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

D008-0110

Molecular Formula

C26H21ClN2O3S2 (C26 H21 ClN2 O3 S2)

Compound Name

14-(4-chlorophenyl)-9-(4-methylphenyl)-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

14-(4-chlorophenyl)-9-(4-methylphenyl)-37-dithia-514-diazapentacyclo[9.5.1.0^{210}.0^{48}.0^{1216}]heptadec-4(8)-ene-61315-trione

SMILES

Cc1ccc(C2C(SC(N3)=O)=C3SC(C(C3)C4C(N5c(cc6)ccc6Cl)=O)C2C3C4C5=O)cc1

InChI

InChI=1S/C26H21ClN2O3S2/c1-11-2-4-12(5-3-11)17-18-15-10-16(21(18)33-23-22(17)34-26(32)28-23)20-19(15)24(30)29(25(20)31)14-8-6-13(27)7-9-14/h2-9,15-21H,10H2,1H3,(H,28,32)

InChI Key

HNAPUIPCBWCCQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.814

Water Solubility, LogSw

-5.17

Polar Surface Area

52.436

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with D008-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D008-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0110
  • 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 D008-0110 available by request