C370-5583 Screening compound: (6E)-5-imino-6-{[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5583 Screening compound: (6E)-5-imino-6-{[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5583 Screening compound: (6E)-5-imino-6-{[1-(2-methyl-5-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 C370-5583
(6E)-5-imino-6-{[1-(2-methyl-5-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

C370-5583

Molecular Formula

C18H11F3N6O3S (C18 H11 F3 N6 O3 S)

Compound Name

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

SMILES

Cc(ccc([N+]([O-])=O)c1)c1-n1c(/C=C(\C(N2N=C(C(F)(F)F)SC2=N2)=N)/C2=O)ccc1

InChI

InChI=1S/C18H11F3N6O3S/c1-9-4-5-11(27(29)30)8-13(9)25-6-2-3-10(25)7-12-14(22)26-17(23-15(12)28)31-16(24-26)18(19,20)21/h2-8,22H,1H3

InChI Key

CNODLOQNJRYECR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.39

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

3.508

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-3.97

Polar Surface Area

90.629

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C370-5583 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 C370-5583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5583?
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What is the minimum amount of C370-5583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5583
  • 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 C370-5583 available by request