C254-0006 Screening compound: N-(4-nitrophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide

C254-0006 Screening compound: N-(4-nitrophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide
C254-0006 Screening compound: N-(4-nitrophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C254-0006
N-(4-nitrophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)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

C254-0006

Molecular Formula

C14H13N5O4S2 (C14 H13 N5 O4 S2)

Compound Name

N-(4-nitrophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-nitrophenyl)-2-({8-oxo-5H6H7H8H-[134]thiadiazolo[32-a][13]diazepin-2-yl}sulfanyl)acetamide

SMILES

[O-][N+](c(cc1)ccc1NC(CSC(S1)=NN(CCC2)C1=NC2=O)=O)=O

InChI

InChI=1S/C14H13N5O4S2/c20-11-2-1-7-18-13(16-11)25-14(17-18)24-8-12(21)15-9-3-5-10(6-4-9)19(22)23/h3-6H,1-2,7-8H2,(H,15,21)

InChI Key

FQAWTHXAZWXNEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-2.54

Polar Surface Area

96.178

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C254-0006 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C254-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C254-0006?
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What is the minimum amount of C254-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C254-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C254-0006
  • 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 C254-0006 available by request