K906-1138 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic acid

K906-1138 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic acid
K906-1138 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-1138
4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic 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

K906-1138

Molecular Formula

C12H13NO3 (C12 H13 NO3)

Compound Name

4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic acid

IUPAC name

4-(23-dihydro-1H-indol-1-yl)-4-oxobutanoic acid

SMILES

OC(CCC(N(CC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,15,16)

InChI Key

SWNRXQYQTQVWKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.174

Distribution Coefficient, logD

-1.775

Water Solubility, LogSw

-1.60

Polar Surface Area

44.045

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K906-1138 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with K906-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1138?
Check Price and Availability of K906-1138, 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 K906-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1138
  • 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 K906-1138 available by request