C370-4457 Screening compound: (6E)-6-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-(4-fluorophenyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C370-4457 Screening compound: (6E)-6-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-(4-fluorophenyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C370-4457 Screening compound: (6E)-6-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-(4-fluorophenyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-4457
(6E)-6-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-(4-fluorophenyl)-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

C370-4457

Molecular Formula

C22H13BrFN5OS (C22 H13 BrFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

N=C(/C1=C\c2cccn2-c(cc2)ccc2Br)N2N=C(c(cc3)ccc3F)SC2=NC1=O

InChI

InChI=1S/C22H13BrFN5OS/c23-14-5-9-16(10-6-14)28-11-1-2-17(28)12-18-19(25)29-22(26-20(18)30)31-21(27-29)13-3-7-15(24)8-4-13/h1-12,25H

InChI Key

ZNZULZSHUPVVPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.94

Polar Surface Area

57.277

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C370-4457 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 C370-4457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-4457?
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What is the minimum amount of C370-4457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-4457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-4457
  • 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 C370-4457 available by request