M447-0022 Screening compound: methyl 2-({2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

M447-0022 Screening compound: methyl 2-({2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
M447-0022 Screening compound: methyl 2-({2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M447-0022
methyl 2-({2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

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

M447-0022

Molecular Formula

C20H19N7O4S (C20 H19 N7 O4 S)

Compound Name

methyl 2-({2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-{2-[5-oxo-11-(pyrrolidin-1-yl)-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=C(c(sc(N2CCCC2)n2)c2N=C2)N2C1=O)=O)=O

InChI

InChI=1S/C20H19N7O4S/c1-31-18(29)12-6-2-3-7-13(12)22-14(28)10-27-20(30)26-11-21-16-15(17(26)24-27)32-19(23-16)25-8-4-5-9-25/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,22,28)

InChI Key

XGSZDVGAVXFWGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.25

Polar Surface Area

99.528

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with M447-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0022?
Check Price and Availability of M447-0022, 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 M447-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0022
  • 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 M447-0022 available by request