C355-1062 Screening compound: (6Z)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1062 Screening compound: (6Z)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1062 Screening compound: (6Z)-6-{[2,5-dimethyl-1-(3-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 C355-1062
(6Z)-6-{[2,5-dimethyl-1-(3-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

C355-1062

Molecular Formula

C23H25N5O3S2 (C23 H25 N5 O3 S2)

Compound Name

(6Z)-6-{[2,5-dimethyl-1-(3-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-(3-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-c3cc(C)ccc3)=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)18-8-6-7-14(3)9-18/h6-11,13,24H,12H2,1-5H3

InChI Key

DQKTWZOASDIXJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751624

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

3.394

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.72

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 C355-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1062?
Check Price and Availability of C355-1062, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C355-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1062
  • 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 C355-1062 available by request