C370-3828 Screening compound: (6E)-6-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-3828 Screening compound: (6E)-6-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-3828 Screening compound: (6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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 C370-3828
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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

C370-3828

Molecular Formula

C22H22ClN5O2S (C22 H22 ClN5 O2 S)

Compound Name

(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCCCC(SC1=NC(/C2=C/c3cccn3-c(cc3)cc(Cl)c3OC)=O)=NN1C2=N

InChI

InChI=1S/C22H22ClN5O2S/c1-3-4-5-8-19-26-28-20(24)16(21(29)25-22(28)31-19)12-14-7-6-11-27(14)15-9-10-18(30-2)17(23)13-15/h6-7,9-13,24H,3-5,8H2,1-2H3

InChI Key

GUCDGMBJCVSQOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-5.24

Polar Surface Area

65.082

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C370-3828 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 C370-3828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-3828?
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What is the minimum amount of C370-3828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-3828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-3828
  • 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 C370-3828 available by request