C370-3843 Screening compound: (6E)-6-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-3843 Screening compound: (6E)-6-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-2-pentyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-3843 Screening compound: (6E)-6-{[1-(4-chloro-3-nitrophenyl)-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 C370-3843
(6E)-6-{[1-(4-chloro-3-nitrophenyl)-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

C370-3843

Molecular Formula

C21H19ClN6O3S (C21 H19 ClN6 O3 S)

Compound Name

(6E)-6-{[1-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-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([N+]([O-])=O)c3Cl)=O)=NN1C2=N

InChI

InChI=1S/C21H19ClN6O3S/c1-2-3-4-7-18-25-27-19(23)15(20(29)24-21(27)32-18)11-13-6-5-10-26(13)14-8-9-16(22)17(12-14)28(30)31/h5-6,8-12,23H,2-4,7H2,1H3

InChI Key

OCFPVQDJPORKRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-5.05

Polar Surface Area

90.532

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C370-3843 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-3843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-3843?
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What is the minimum amount of C370-3843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-3843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-3843
  • 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 C370-3843 available by request