C370-5568 Screening compound: (6E)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5568 Screening compound: (6E)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5568 Screening compound: (6E)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5568
(6E)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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

C370-5568

Molecular Formula

C17H9F3N6O3S (C17 H9 F3 N6 O3 S)

Compound Name

(6E)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-5-imino-6-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

N=C(/C1=C\c2cccn2-c2cc([N+]([O-])=O)ccc2)N2N=C(C(F)(F)F)SC2=NC1=O

InChI

InChI=1S/C17H9F3N6O3S/c18-17(19,20)15-23-25-13(21)12(14(27)22-16(25)30-15)8-10-5-2-6-24(10)9-3-1-4-11(7-9)26(28)29/h1-8,21H

InChI Key

XVRMSRBMIXXDIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-3.45

Polar Surface Area

90.930

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C370-5568 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C370-5568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5568?
Check Price and Availability of C370-5568, 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 C370-5568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5568
  • 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 C370-5568 available by request