C254-0002 Screening compound: 2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE

C254-0002 Screening compound: 2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
C254-0002 Screening compound: 2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C254-0002
2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE

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

C254-0002

Molecular Formula

C15H13F3N4O3S2 (C15 H13 F3 N4 O3 S2)

Compound Name

2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CSC(S1)=NN(CCC2)C1=NC2=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C15H13F3N4O3S2/c16-15(17,18)25-10-5-3-9(4-6-10)19-12(24)8-26-14-21-22-7-1-2-11(23)20-13(22)27-14/h3-6H,1-2,7-8H2,(H,19,24)

InChI Key

RMYMILSHISYDGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.64

Polar Surface Area

68.733

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C254-0002 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C254-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C254-0002?
Check Price and Availability of C254-0002, 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 C254-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C254-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C254-0002
  • 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 C254-0002 available by request