4277-0137 Screening compound: (6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-phenyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-0137 Screening compound: (6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-phenyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-0137 Screening compound: (6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-phenyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-0137
(6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-phenyl-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

4277-0137

Molecular Formula

C24H19N5OS (C24 H19 N5 OS)

Compound Name

(6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-phenyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-phenyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(/C=C(\C(N2N=C(c3ccccc3)SC2=N2)=N)/C2=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C24H19N5OS/c1-15-13-18(16(2)28(15)19-11-7-4-8-12-19)14-20-21(25)29-24(26-22(20)30)31-23(27-29)17-9-5-3-6-10-17/h3-14,25H,1-2H3

InChI Key

QSBMXGSNTSEFCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03183046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

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

3.618

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-3.80

Polar Surface Area

57.412

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 4277-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-0137?
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What is the minimum amount of 4277-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-0137
  • 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 4277-0137 available by request