2147-0103 Screening compound: 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

2147-0103 Screening compound: 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
2147-0103 Screening compound: 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2147-0103
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

2147-0103

Molecular Formula

C17H14BrN3O2S (C17 H14 BrN3 O2 S)

Compound Name

5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[1-(4-bromophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cc(C=C(C(NC(N2)=S)=O)C2=O)c(C)n1-c(cc1)ccc1Br

InChI

InChI=1S/C17H14BrN3O2S/c1-9-7-11(8-14-15(22)19-17(24)20-16(14)23)10(2)21(9)13-5-3-12(18)4-6-13/h3-8H,1-2H3,(H2,19,20,22,23,24)

InChI Key

GNVZSEFBOCCFRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.85

Polar Surface Area

52.291

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2147-0103 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2147-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2147-0103?
Check Price and Availability of 2147-0103, 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 2147-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2147-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2147-0103
  • 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 2147-0103 available by request