C356-0488 Screening compound: (6E)-6-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0488 Screening compound: (6E)-6-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0488 Screening compound: (6E)-6-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0488
(6E)-6-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-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

C356-0488

Molecular Formula

C19H15Cl2N5O3S2 (C19 H15 Cl2 N5 O3 S2)

Compound Name

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

IUPAC name

(6E)-6-{[1-(35-dichlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methanesulfonyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(/C=C(\C(N(C(S2)=N3)N=C2S(C)(=O)=O)=N)/C3=O)c(C)n1-c1cc(Cl)cc(Cl)c1

InChI

InChI=1S/C19H15Cl2N5O3S2/c1-9-4-11(10(2)25(9)14-7-12(20)6-13(21)8-14)5-15-16(22)26-18(23-17(15)27)30-19(24-26)31(3,28)29/h4-8,22H,1-3H3

InChI Key

FSRBLLYSEJAGJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.71

Polar Surface Area

87.216

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C356-0488 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C356-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0488?
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What is the minimum amount of C356-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0488
  • 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 C356-0488 available by request