C370-6077 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C370-6077 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C370-6077 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-6077
(6Z)-5-imino-3-methanesulfonyl-6-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C370-6077

Molecular Formula

C18H15N5O3S2 (C18 H15 N5 O3 S2)

Compound Name

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

IUPAC name

(6Z)-5-imino-3-methanesulfonyl-6-{[1-(4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc(cc1)ccc1-n1c(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)ccc1

InChI

InChI=1S/C18H15N5O3S2/c1-11-5-7-12(8-6-11)22-9-3-4-13(22)10-14-15(19)23-17(20-16(14)24)27-21-18(23)28(2,25)26/h3-10,19H,1-2H3

InChI Key

KRRROLDQDLWUGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

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

1.780

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-2.42

Polar Surface Area

83.549

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C370-6077 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-6077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-6077?
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What is the minimum amount of C370-6077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-6077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-6077
  • 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 C370-6077 available by request