K780-0804 Screening compound: 2-(2-formyl-1H-pyrrol-1-yl)acetic acid

K780-0804 Screening compound: 2-(2-formyl-1H-pyrrol-1-yl)acetic acid
K780-0804 Screening compound: 2-(2-formyl-1H-pyrrol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0804
2-(2-formyl-1H-pyrrol-1-yl)acetic 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

K780-0804

Molecular Formula

C7H7NO3 (C7 H7 NO3)

Compound Name

2-(2-formyl-1H-pyrrol-1-yl)acetic acid

IUPAC name

2-(2-formyl-1H-pyrrol-1-yl)acetic acid

SMILES

OC(Cn1c(C=O)ccc1)=O

InChI

InChI=1S/C7H7NO3/c9-5-6-2-1-3-8(6)4-7(10)11/h1-3,5H,4H2,(H,10,11)

InChI Key

VQNKRZLHJSBDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08752783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

153.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.709

Distribution Coefficient, logD

-4.462

Water Solubility, LogSw

-1.06

Polar Surface Area

45.123

Acid Dissociation Constant (pKa)

3.65

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K780-0804 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K780-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0804?
Check Price and Availability of K780-0804, 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 K780-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0804
  • 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 K780-0804 available by request