C370-6129 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C370-6129 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C370-6129 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[1-(2-methoxy-5-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 C370-6129
(6Z)-5-imino-3-methanesulfonyl-6-{[1-(2-methoxy-5-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

C370-6129

Molecular Formula

C19H17N5O4S2 (C19 H17 N5 O4 S2)

Compound Name

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

SMILES

Cc(cc1)cc(-n2c(/C=C(/C(N(C(S(C)(=O)=O)=NS3)C3=N3)=N)\C3=O)ccc2)c1OC

InChI

InChI=1S/C19H17N5O4S2/c1-11-6-7-15(28-2)14(9-11)23-8-4-5-12(23)10-13-16(20)24-18(21-17(13)25)29-22-19(24)30(3,26)27/h4-10,20H,1-3H3

InChI Key

OWIWHXGYRQGEEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-2.46

Polar Surface Area

90.878

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C370-6129 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 C370-6129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-6129?
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What is the minimum amount of C370-6129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-6129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-6129
  • 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 C370-6129 available by request