4447-0316 Screening compound: 2-[(4-amino-5-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)-1-ethanone

4447-0316 Screening compound: 2-[(4-amino-5-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)-1-ethanone
4447-0316 Screening compound: 2-[(4-amino-5-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4447-0316
2-[(4-amino-5-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)-1-ethanone

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

4447-0316

Molecular Formula

C19H18BrN3OS2 (C19 H18 BrN3 OS2)

Compound Name

2-[(4-amino-5-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)-1-ethanone

IUPAC name

2-({3-amino-13-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-1-(4-bromophenyl)ethan-1-one

SMILES

CC(CCC1)c2c1sc1nc(SCC(c(cc3)ccc3Br)=O)nc(N)c12

InChI

InChI=1S/C19H18BrN3OS2/c1-10-3-2-4-14-15(10)16-17(21)22-19(23-18(16)26-14)25-9-13(24)11-5-7-12(20)8-6-11/h5-8,10H,2-4,9H2,1H3,(H2,21,22,23)/t10-/m0/s1

InChI Key

BIKXNMJYYGYMPY-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02996257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.552

Distribution Coefficient, logD

5.552

Water Solubility, LogSw

-5.58

Polar Surface Area

52.229

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

4447-0316 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4447-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4447-0316?
Check Price and Availability of 4447-0316, 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 4447-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4447-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4447-0316
  • 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 4447-0316 available by request