M447-0125 Screening compound: N~1~-(3,5-difluorophenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0125 Screening compound: N~1~-(3,5-difluorophenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0125 Screening compound: N~1~-(3,5-difluorophenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M447-0125
N~1~-(3,5-difluorophenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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

M447-0125

Molecular Formula

C18H15F2N7O2S (C18 H15 F2 N7 O2 S)

Compound Name

N~1~-(3,5-difluorophenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-(35-difluorophenyl)-2-[5-oxo-11-(pyrrolidin-1-yl)-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl]acetamide

SMILES

O=C(CN1N=C(c(sc(N2CCCC2)n2)c2N=C2)N2C1=O)Nc1cc(F)cc(F)c1

InChI

InChI=1S/C18H15F2N7O2S/c19-10-5-11(20)7-12(6-10)22-13(28)8-27-18(29)26-9-21-15-14(16(26)24-27)30-17(23-15)25-3-1-2-4-25/h5-7,9H,1-4,8H2,(H,22,28)

InChI Key

LOMMEBLFDCNGNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.56

Polar Surface Area

79.051

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M447-0125 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M447-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0125?
Check Price and Availability of M447-0125, 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 M447-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0125
  • 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 M447-0125 available by request