C243-0304 Screening compound: 9-methyl-4-oxo-N~2~-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

C243-0304 Screening compound: 9-methyl-4-oxo-N~2~-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
C243-0304 Screening compound: 9-methyl-4-oxo-N~2~-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0304
9-methyl-4-oxo-N~2~-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

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

C243-0304

Molecular Formula

C14H9N5O2S3 (C14 H9 N5 O2 S3)

Compound Name

9-methyl-4-oxo-N~2~-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

10-methyl-2-oxo-N-(5-sulfanyl-134-thiadiazol-2-yl)-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

CC1=CC=CN2C1=Nc(sc(C(Nc1nnc(S)s1)=O)c1)c1C2=O

InChI

InChI=1S/C14H9N5O2S3/c1-6-3-2-4-19-9(6)15-11-7(12(19)21)5-8(23-11)10(20)16-13-17-18-14(22)24-13/h2-5H,1H3,(H,18,22)(H,16,17,20)

InChI Key

WERWLHKSWMUCGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-2.93

Polar Surface Area

69.843

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C243-0304 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C243-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0304?
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What is the minimum amount of C243-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0304
  • 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 C243-0304 available by request