C726-1858 Screening compound: (6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(morpholin-4-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C726-1858 Screening compound: (6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(morpholin-4-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C726-1858 Screening compound: (6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(morpholin-4-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-1858
(6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(morpholin-4-yl)-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

C726-1858

Molecular Formula

C26H24N6O2S (C26 H24 N6 O2 S)

Compound Name

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

IUPAC name

(6E)-6-{[25-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(morpholin-4-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(/C=C(\C(N2N=C(N3CCOCC3)SC2=N2)=N)/C2=O)c(C)n1-c1cccc2ccccc12

InChI

InChI=1S/C26H24N6O2S/c1-16-14-19(17(2)31(16)22-9-5-7-18-6-3-4-8-20(18)22)15-21-23(27)32-25(28-24(21)33)35-26(29-32)30-10-12-34-13-11-30/h3-9,14-15,27H,10-13H2,1-2H3

InChI Key

NUFRMYGZKBLMKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

0.725

Water Solubility, LogSw

-3.79

Polar Surface Area

68.055

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C726-1858 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C726-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-1858?
Check Price and Availability of C726-1858, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C726-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-1858
  • 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 C726-1858 available by request