C370-4302 Screening compound: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-4302 Screening compound: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-4302 Screening compound: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-4302
(6E)-6-{[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-(furan-2-yl)-5-imino-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

C370-4302

Molecular Formula

C21H14ClN5O3S (C21 H14 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1-n1c(/C=C(\C(N2N=C(c3ccco3)SC2=N2)=N)/C2=O)ccc1

InChI

InChI=1S/C21H14ClN5O3S/c1-29-16-7-6-12(22)10-15(16)26-8-2-4-13(26)11-14-18(23)27-21(24-19(14)28)31-20(25-27)17-5-3-9-30-17/h2-11,23H,1H3

InChI Key

SRNGWJGLQIRJOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

2.977

Water Solubility, LogSw

-3.77

Polar Surface Area

73.185

Acid Dissociation Constant (pKa)

33.02

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C370-4302 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 C370-4302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-4302?
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What is the minimum amount of C370-4302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-4302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-4302
  • 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 C370-4302 available by request