1630-0215 Screening compound: pentyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate

1630-0215 Screening compound: pentyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate
1630-0215 Screening compound: pentyl 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 1630-0215
pentyl 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

1630-0215

Molecular Formula

C18H21NO5 (C18 H21 NO5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H21NO5/c1-3-4-7-10-24-16(21)14-11(2)19-18(23)13-9-6-5-8-12(13)15(20)17(14,18)22/h5-6,8-9,19,22-23H,3-4,7,10H2,1-2H3

InChI Key

DBGFCVJADMMQPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00385589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.720

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.26

Polar Surface Area

77.438

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

1630-0215 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1630-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0215?
Check Price and Availability of 1630-0215, 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 1630-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0215
  • 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 1630-0215 available by request