C370-5284 Screening compound: (6E)-6-{[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5284 Screening compound: (6E)-6-{[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5284 Screening compound: (6E)-6-{[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5284
(6E)-6-{[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(propan-2-yl)-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

C370-5284

Molecular Formula

C19H15ClN6O3S (C19 H15 ClN6 O3 S)

Compound Name

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

IUPAC name

(6E)-6-{[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)C(SC1=NC(/C2=C/c3cccn3-c(ccc([N+]([O-])=O)c3)c3Cl)=O)=NN1C2=N

InChI

InChI=1S/C19H15ClN6O3S/c1-10(2)18-23-25-16(21)13(17(27)22-19(25)30-18)8-11-4-3-7-24(11)15-6-5-12(26(28)29)9-14(15)20/h3-10,21H,1-2H3

InChI Key

JPPBUXWBIOBTRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.89

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

4.014

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-4.48

Polar Surface Area

90.629

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C370-5284 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-5284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5284?
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What is the minimum amount of C370-5284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5284
  • 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 C370-5284 available by request