D008-0257 Screening compound: 9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one

D008-0257 Screening compound: 9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one
D008-0257 Screening compound: 9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D008-0257
9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-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

D008-0257

Molecular Formula

C17H16FNOS2 (C17 H16 FNOS2)

Compound Name

9-(4-fluorophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one

IUPAC name

9-(4-fluorophenyl)-37-dithia-5-azatetracyclo[9.2.1.0^{210}.0^{48}]tetradec-4(8)-en-6-one

SMILES

O=C(N1)SC2=C1SC(C1CC3CC1)C3C2c(cc1)ccc1F

InChI

InChI=1S/C17H16FNOS2/c18-11-5-3-8(4-6-11)12-13-9-1-2-10(7-9)14(13)21-16-15(12)22-17(20)19-16/h3-6,9-10,12-14H,1-2,7H2,(H,19,20)

InChI Key

XCRBMTDUYFRNSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.59

Polar Surface Area

23.795

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-13.86

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

47.10

D008-0257 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D008-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D008-0257?
Check Price and Availability of D008-0257, 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 D008-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D008-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D008-0257
  • 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 D008-0257 available by request