C370-5573 Screening compound: (6E)-6-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5573 Screening compound: (6E)-6-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5573 Screening compound: (6E)-6-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5573
(6E)-6-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-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

C370-5573

Molecular Formula

C17H8ClF3N6O3S (C17 H8 ClF3 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N=C(/C1=C\c2cccn2-c(cc(cc2)[N+]([O-])=O)c2Cl)N2N=C(C(F)(F)F)SC2=NC1=O

InChI

InChI=1S/C17H8ClF3N6O3S/c18-11-4-3-9(27(29)30)7-12(11)25-5-1-2-8(25)6-10-13(22)26-16(23-14(10)28)31-15(24-26)17(19,20)21/h1-7,22H

InChI Key

LCXRHLOYAWMKRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.8

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

3.474

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.91

Polar Surface Area

90.629

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C370-5573 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-5573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5573?
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What is the minimum amount of C370-5573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5573
  • 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 C370-5573 available by request