6392-0033 Screening compound: methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

6392-0033 Screening compound: methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
6392-0033 Screening compound: methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0033
methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

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

6392-0033

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

IUPAC name

methyl (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

SMILES

CC(C)(C)c(cc1)ccc1OC(N=C1N2C=CC=C1)=C(/C=C(/C(OC)=O)\C#N)C2=O

InChI

InChI=1S/C23H21N3O4/c1-23(2,3)16-8-10-17(11-9-16)30-20-18(13-15(14-24)22(28)29-4)21(27)26-12-6-5-7-19(26)25-20/h5-13H,1-4H3

InChI Key

AGBQRVBXHWRKNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04172239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.45

Polar Surface Area

70.972

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

6392-0033 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0033?
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What is the minimum amount of 6392-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0033
  • 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 6392-0033 available by request