C355-1015 Screening compound: (6Z)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1015 Screening compound: (6Z)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1015 Screening compound: (6Z)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1015
(6Z)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-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

C355-1015

Molecular Formula

C23H25N5O3S2 (C23 H25 N5 O3 S2)

Compound Name

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

IUPAC name

(6Z)-6-{[25-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)CS(C(N1C(/C2=C/c(cc3C)c(C)n3-c3ccc(C)cc3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C23H25N5O3S2/c1-13(2)12-33(30,31)23-26-32-22-25-21(29)19(20(24)28(22)23)11-17-10-15(4)27(16(17)5)18-8-6-14(3)7-9-18/h6-11,13,24H,12H2,1-5H3

InChI Key

SJXIFNMOWFAXSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.56

Polar Surface Area

82.972

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C355-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1015?
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What is the minimum amount of C355-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1015
  • 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 C355-1015 available by request