D182-0202 Screening compound: 3-(pyrimidin-5-yl)prop-2-yn-1-ol

D182-0202 Screening compound: 3-(pyrimidin-5-yl)prop-2-yn-1-ol
D182-0202 Screening compound: 3-(pyrimidin-5-yl)prop-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D182-0202
3-(pyrimidin-5-yl)prop-2-yn-1-ol

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

D182-0202

Molecular Formula

C7H6N2O (C7 H6 N2 O)

Compound Name

3-(pyrimidin-5-yl)prop-2-yn-1-ol

IUPAC name

3-(pyrimidin-5-yl)prop-2-yn-1-ol

SMILES

OCC#Cc1cncnc1

InChI

InChI=1S/C7H6N2O/c10-3-1-2-7-4-8-6-9-5-7/h4-6,10H,3H2

InChI Key

HASOEWCDBMNTPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

134.14

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

-0.261

Distribution Coefficient, logD

-0.261

Water Solubility, LogSw

0.26

Polar Surface Area

37.644

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D182-0202 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D182-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D182-0202?
Check Price and Availability of D182-0202, 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 D182-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D182-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D182-0202
  • 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 D182-0202 available by request