F149-0777 Screening compound: 2-(3-methylpiperidin-1-yl)-7-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

F149-0777 Screening compound: 2-(3-methylpiperidin-1-yl)-7-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
F149-0777 Screening compound: 2-(3-methylpiperidin-1-yl)-7-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F149-0777
2-(3-methylpiperidin-1-yl)-7-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

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

F149-0777

Molecular Formula

C22H27N5O5S (C22 H27 N5 O5 S)

Compound Name

2-(3-methylpiperidin-1-yl)-7-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

IUPAC name

2-(3-methylpiperidin-1-yl)-7-oxo-N-[(345-trimethoxyphenyl)methyl]-7H-[134]thiadiazolo[32-a]pyrimidine-5-carboxamide

SMILES

CC(CCC1)CN1C(SC1=N2)=NN1C(C(NCc(cc1OC)cc(OC)c1OC)=O)=CC2=O

InChI

InChI=1S/C22H27N5O5S/c1-13-6-5-7-26(12-13)22-25-27-15(10-18(28)24-21(27)33-22)20(29)23-11-14-8-16(30-2)19(32-4)17(9-14)31-3/h8-10,13H,5-7,11-12H2,1-4H3,(H,23,29)/t13-/m0/s1

InChI Key

AHFUNTWXOGUTTN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27105226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.232

Water Solubility, LogSw

-2.83

Polar Surface Area

88.338

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

F149-0777 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with F149-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F149-0777?
Check Price and Availability of F149-0777, 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 F149-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F149-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F149-0777
  • 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 F149-0777 available by request