C370-4856 Screening compound: (6E)-6-{[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-4856 Screening compound: (6E)-6-{[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-4856 Screening compound: (6E)-6-{[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-4856
(6E)-6-{[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-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

C370-4856

Molecular Formula

C26H23N5O2S (C26 H23 N5 O2 S)

Compound Name

(6E)-6-{[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-{[1-(34-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cccc(OCC(SC2=NC(/C3=C/c4cccn4-c4cc(C)c(C)cc4)=O)=NN2C3=N)c1

InChI

InChI=1S/C26H23N5O2S/c1-16-6-4-8-21(12-16)33-15-23-29-31-24(27)22(25(32)28-26(31)34-23)14-19-7-5-11-30(19)20-10-9-17(2)18(3)13-20/h4-14,27H,15H2,1-3H3

InChI Key

BBWSAQCNPZXGRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-5.34

Polar Surface Area

64.679

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C370-4856 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 C370-4856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-4856?
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What is the minimum amount of C370-4856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-4856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-4856
  • 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 C370-4856 available by request