D058-0220 Screening compound: 2-[2-(2-methylpropyl)-1H-1,3-benzodiazol-1-yl]acetic acid

D058-0220 Screening compound: 2-[2-(2-methylpropyl)-1H-1,3-benzodiazol-1-yl]acetic acid
D058-0220 Screening compound: 2-[2-(2-methylpropyl)-1H-1,3-benzodiazol-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0220
2-[2-(2-methylpropyl)-1H-1,3-benzodiazol-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

D058-0220

Molecular Formula

C13H16N2O2 (C13 H16 N2 O2)

Compound Name

2-[2-(2-methylpropyl)-1H-1,3-benzodiazol-1-yl]acetic acid

IUPAC name

2-[2-(2-methylpropyl)-1H-13-benzodiazol-1-yl]acetic acid

SMILES

CC(C)Cc1nc(cccc2)c2n1CC(O)=O

InChI

InChI=1S/C13H16N2O2/c1-9(2)7-12-14-10-5-3-4-6-11(10)15(12)8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)

InChI Key

WVTDHCOOWHHKHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.879

Distribution Coefficient, logD

-2.277

Water Solubility, LogSw

-2.18

Polar Surface Area

39.799

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D058-0220 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D058-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0220?
Check Price and Availability of D058-0220, 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 D058-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0220
  • 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 D058-0220 available by request