V027-8901 Screening compound: 2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate

V027-8901 Screening compound: 2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate
V027-8901 Screening compound: 2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8901
2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate

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

V027-8901

Molecular Formula

C21H15ClFNO6S2 (C21 H15 ClFNO6 S2)

Compound Name

2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

2-chloro-4-[5-(ethanesulfonyl)-13-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate

SMILES

CCS(c(cc1)cc2c1oc(-c(cc1)cc(Cl)c1OS(c(cc1)ccc1F)(=O)=O)n2)(=O)=O

InChI

InChI=1S/C21H15ClFNO6S2/c1-2-31(25,26)16-8-10-20-18(12-16)24-21(29-20)13-3-9-19(17(22)11-13)30-32(27,28)15-6-4-14(23)5-7-15/h3-12H,2H2,1H3

InChI Key

NYNQNMRLNAHJIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794830

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.53

Polar Surface Area

81.933

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V027-8901 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-8901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8901?
Check Price and Availability of V027-8901, 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 V027-8901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8901
  • 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 V027-8901 available by request