C679-2010 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C679-2010 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C679-2010 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2010
(6E)-2-(adamantan-1-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-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

C679-2010

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

(6E)-2-(adamantan-1-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-2-(adamantan-1-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

N=C(/C1=C\C2=COc(cccc3)c3C2=O)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O

InChI

InChI=1S/C25H22N4O3S/c26-21-18(8-16-12-32-19-4-2-1-3-17(19)20(16)30)22(31)27-24-29(21)28-23(33-24)25-9-13-5-14(10-25)7-15(6-13)11-25/h1-4,8,12-15,26H,5-7,9-11H2

InChI Key

MXMKBMYMKMTYKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.63

Polar Surface Area

75.674

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C679-2010 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C679-2010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2010?
Check Price and Availability of C679-2010, 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 C679-2010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2010
  • 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 C679-2010 available by request