M447-0121 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0121 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0121 Screening compound: N~1~-(2,3-dimethylphenyl)-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 M447-0121
N~1~-(2,3-dimethylphenyl)-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

M447-0121

Molecular Formula

C20H21N7O2S (C20 H21 N7 O2 S)

Compound Name

N~1~-(2,3-dimethylphenyl)-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-(23-dimethylphenyl)-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

Cc1cccc(NC(CN2N=C(c(sc(N3CCCC3)n3)c3N=C3)N3C2=O)=O)c1C

InChI

InChI=1S/C20H21N7O2S/c1-12-6-5-7-14(13(12)2)22-15(28)10-27-20(29)26-11-21-17-16(18(26)24-27)30-19(23-17)25-8-3-4-9-25/h5-7,11H,3-4,8-10H2,1-2H3,(H,22,28)

InChI Key

XSMBMMNVKNLSCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

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

3.492

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.63

Polar Surface Area

78.354

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M447-0121 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M447-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0121?
Check Price and Availability of M447-0121, 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 M447-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0121
  • 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 M447-0121 available by request