1781-2035 Screening compound: 2-ethoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate

1781-2035 Screening compound: 2-ethoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate
1781-2035 Screening compound: 2-ethoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2035
2-ethoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate

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

1781-2035

Molecular Formula

C17H19NO6 (C17 H19 NO6)

Compound Name

2-ethoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate

IUPAC name

2-ethoxyethyl 3a8b-dihydroxy-2-methyl-4-oxo-1H3aH4H8bH-indeno[12-b]pyrrole-3-carboxylate

SMILES

CCOCCOC(C(C1(C(c2c3cccc2)=O)O)=C(C)NC13O)=O

InChI

InChI=1S/C17H19NO6/c1-3-23-8-9-24-15(20)13-10(2)18-17(22)12-7-5-4-6-11(12)14(19)16(13,17)21/h4-7,18,21-22H,3,8-9H2,1-2H3

InChI Key

ZHICJOIUIGYFNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.920

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-2.40

Polar Surface Area

85.415

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 1781-2035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2035?
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What is the minimum amount of 1781-2035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2035
  • 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 1781-2035 available by request