C370-5569 Screening compound: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5569 Screening compound: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5569 Screening compound: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-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 C370-5569
(6E)-6-{[1-(5-chloro-2-methoxyphenyl)-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

C370-5569

Molecular Formula

C18H11ClF3N5O2S (C18 H11 ClF3 N5 O2 S)

Compound Name

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

SMILES

COc(ccc(Cl)c1)c1-n1c(/C=C(\C(N2N=C(C(F)(F)F)SC2=N2)=N)/C2=O)ccc1

InChI

InChI=1S/C18H11ClF3N5O2S/c1-29-13-5-4-9(19)7-12(13)26-6-2-3-10(26)8-11-14(23)27-17(24-15(11)28)30-16(25-27)18(20,21)22/h2-8,23H,1H3

InChI Key

IKPGWSWMGQOFCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.96

Polar Surface Area

64.878

Acid Dissociation Constant (pKa)

33.02

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C370-5569 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 C370-5569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5569?
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What is the minimum amount of C370-5569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5569
  • 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 C370-5569 available by request