5641-0616 Screening compound: 4-{[(3Z)-4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

5641-0616 Screening compound: 4-{[(3Z)-4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid
5641-0616 Screening compound: 4-{[(3Z)-4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-0616
4-{[(3Z)-4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

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

5641-0616

Molecular Formula

C18H19NO6 (C18 H19 NO6)

Compound Name

4-{[(3Z)-4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

IUPAC name

4-{[(3Z)-4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-23-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

SMILES

CC(N(CCOC)C1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1C(O)=O

InChI

InChI=1S/C18H19NO6/c1-11-15(18(23)25-3)14(16(20)19(11)8-9-24-2)10-12-4-6-13(7-5-12)17(21)22/h4-7,10H,8-9H2,1-3H3,(H,21,22)

InChI Key

KGZIYQNYFIMAJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03006740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.35

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

1.913

Distribution Coefficient, logD

-1.694

Water Solubility, LogSw

-2.15

Polar Surface Area

74.111

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 5641-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-0616?
Check Price and Availability of 5641-0616, 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 5641-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-0616
  • 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 5641-0616 available by request