C370-5458 Screening compound: (6E)-2-benzyl-6-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-5458 Screening compound: (6E)-2-benzyl-6-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-5458 Screening compound: (6E)-2-benzyl-6-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5458
(6E)-2-benzyl-6-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-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

C370-5458

Molecular Formula

C23H15ClN6O3S (C23 H15 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N=C(/C1=C\c2cccn2-c(cc2)cc([N+]([O-])=O)c2Cl)N2N=C(Cc3ccccc3)SC2=NC1=O

InChI

InChI=1S/C23H15ClN6O3S/c24-18-9-8-16(13-19(18)30(32)33)28-10-4-7-15(28)12-17-21(25)29-23(26-22(17)31)34-20(27-29)11-14-5-2-1-3-6-14/h1-10,12-13,25H,11H2

InChI Key

LLZAOSHLFOYDAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.61

Polar Surface Area

90.261

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C370-5458 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 C370-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5458?
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What is the minimum amount of C370-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5458
  • 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 C370-5458 available by request