4338-1064 Screening compound: propyl 2-chloro-5-(5-{[(3Z)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

4338-1064 Screening compound: propyl 2-chloro-5-(5-{[(3Z)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate
4338-1064 Screening compound: propyl 2-chloro-5-(5-{[(3Z)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-1064
propyl 2-chloro-5-(5-{[(3Z)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)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

4338-1064

Molecular Formula

C22H17ClN2O5 (C22 H17 ClN2 O5)

Compound Name

propyl 2-chloro-5-(5-{[(3Z)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

propyl 2-chloro-5-(5-{[(3Z)-5-cyano-4-methyl-26-dioxo-1236-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCCOC(c(cc(cc1)-c2ccc(/C=C(/C(C)=C(C(N3)=O)C#N)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C22H17ClN2O5/c1-3-8-29-22(28)16-9-13(4-6-18(16)23)19-7-5-14(30-19)10-15-12(2)17(11-24)21(27)25-20(15)26/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,27)

InChI Key

PWFINYGYXPPDIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-4.69

Polar Surface Area

84.312

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 4338-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-1064?
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What is the minimum amount of 4338-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-1064
  • 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 4338-1064 available by request