C356-0297 Screening compound: (6E)-6-{[1-(2,6-dimethylphenyl)-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

C356-0297 Screening compound: (6E)-6-{[1-(2,6-dimethylphenyl)-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
C356-0297 Screening compound: (6E)-6-{[1-(2,6-dimethylphenyl)-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 C356-0297
(6E)-6-{[1-(2,6-dimethylphenyl)-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

C356-0297

Molecular Formula

C21H21N5O3S2 (C21 H21 N5 O3 S2)

Compound Name

(6E)-6-{[1-(2,6-dimethylphenyl)-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-(26-dimethylphenyl)-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-c1c(C)cccc1C

InChI

InChI=1S/C21H21N5O3S2/c1-11-7-6-8-12(2)17(11)25-13(3)9-15(14(25)4)10-16-18(22)26-20(23-19(16)27)30-21(24-26)31(5,28)29/h6-10,22H,1-5H3

InChI Key

DQAOTRIFIACOTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

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

2.365

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.81

Polar Surface Area

86.614

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C356-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0297?
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What is the minimum amount of C356-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0297
  • 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 C356-0297 available by request