C370-3809 Screening compound: (6E)-6-{[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-3809 Screening compound: (6E)-6-{[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-3809 Screening compound: (6E)-6-{[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-3809
(6E)-6-{[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-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

C370-3809

Molecular Formula

C23H25N5OS (C23 H25 N5 OS)

Compound Name

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

IUPAC name

(6E)-6-{[1-(24-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCCCC(SC1=NC(/C2=C/c3cccn3-c3c(C)cc(C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C23H25N5OS/c1-4-5-6-9-20-26-28-21(24)18(22(29)25-23(28)30-20)14-17-8-7-12-27(17)19-11-10-15(2)13-16(19)3/h7-8,10-14,24H,4-6,9H2,1-3H3

InChI Key

RDOKYKFZFITETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-5.16

Polar Surface Area

57.151

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C370-3809 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 C370-3809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-3809?
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What is the minimum amount of C370-3809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-3809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-3809
  • 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 C370-3809 available by request