C243-0281 Screening compound: N~2~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

C243-0281 Screening compound: N~2~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
C243-0281 Screening compound: N~2~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0281
N~2~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-9-methyl-4-oxo-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

C243-0281

Molecular Formula

C23H19N5O5S2 (C23 H19 N5 O5 S2)

Compound Name

N~2~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-{4-[(34-dimethyl-12-oxazol-5-yl)sulfamoyl]phenyl}-10-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

Cc1c(NS(c(cc2)ccc2NC(c2cc(C(N(C=CC=C3C)C3=N3)=O)c3s2)=O)(=O)=O)onc1C

InChI

InChI=1S/C23H19N5O5S2/c1-12-5-4-10-28-19(12)25-22-17(23(28)30)11-18(34-22)20(29)24-15-6-8-16(9-7-15)35(31,32)27-21-13(2)14(3)26-33-21/h4-11,27H,1-3H3,(H,24,29)

InChI Key

UHCITTZTXDUPPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

1.108

Water Solubility, LogSw

-3.61

Polar Surface Area

110.813

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C243-0281 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C243-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0281?
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What is the minimum amount of C243-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0281
  • 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 C243-0281 available by request