8013-1994 Screening compound: 3-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}[(furan-2-yl)methyl]carbamoyl)propanoic acid

8013-1994 Screening compound: 3-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}[(furan-2-yl)methyl]carbamoyl)propanoic acid
8013-1994 Screening compound: 3-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}[(furan-2-yl)methyl]carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1994
3-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}[(furan-2-yl)methyl]carbamoyl)propanoic 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

8013-1994

Molecular Formula

C19H24N2O6 (C19 H24 N2 O6)

Compound Name

3-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}[(furan-2-yl)methyl]carbamoyl)propanoic acid

IUPAC name

3-({[5-(ethoxycarbonyl)-24-dimethyl-1H-pyrrol-3-yl]methyl}[(furan-2-yl)methyl]carbamoyl)propanoic acid

SMILES

CCOC(c1c(C)c(CN(Cc2ccco2)C(CCC(O)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C19H24N2O6/c1-4-26-19(25)18-12(2)15(13(3)20-18)11-21(10-14-6-5-9-27-14)16(22)7-8-17(23)24/h5-6,9,20H,4,7-8,10-11H2,1-3H3,(H,23,24)

InChI Key

PDWGSEIOSVMLSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.777

Distribution Coefficient, logD

-1.173

Water Solubility, LogSw

-2.08

Polar Surface Area

83.790

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 8013-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1994?
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What is the minimum amount of 8013-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1994
  • 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 8013-1994 available by request