C280-0386 Screening compound: 3-(4-bromophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

C280-0386 Screening compound: 3-(4-bromophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
C280-0386 Screening compound: 3-(4-bromophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-0386
3-(4-bromophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-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

C280-0386

Molecular Formula

C18H18BrN3O2S2 (C18 H18 BrN3 O2 S2)

Compound Name

3-(4-bromophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-(4-bromophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CSC(N(c(cc1)ccc1Br)C1=O)=NC2=C1SCC2)N1CCCC1

InChI

InChI=1S/C18H18BrN3O2S2/c19-12-3-5-13(6-4-12)22-17(24)16-14(7-10-25-16)20-18(22)26-11-15(23)21-8-1-2-9-21/h3-6H,1-2,7-11H2

InChI Key

RDUJMEHKMMYOOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.22

Polar Surface Area

42.255

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C280-0386 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C280-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-0386?
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What is the minimum amount of C280-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-0386
  • 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 C280-0386 available by request