7653-0010 Screening compound: 4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol

7653-0010 Screening compound: 4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
7653-0010 Screening compound: 4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-0010
4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-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

7653-0010

Molecular Formula

C12H9ClN2O2S (C12 H9 ClN2 O2 S)

Compound Name

4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol

IUPAC name

4-{[5-(4-chlorophenyl)-134-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol

SMILES

OCC#CCSc1nnc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C12H9ClN2O2S/c13-10-5-3-9(4-6-10)11-14-15-12(17-11)18-8-2-1-7-16/h3-6,16H,7-8H2

InChI Key

RVKZGQHYDNTVQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06193780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-2.99

Polar Surface Area

46.991

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7653-0010 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7653-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-0010?
Check Price and Availability of 7653-0010, 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 7653-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-0010
  • 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 7653-0010 available by request