V009-9310 Screening compound: 2-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

V009-9310 Screening compound: 2-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
V009-9310 Screening compound: 2-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9310
2-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

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

V009-9310

Molecular Formula

C24H18F4N2O3S (C24 H18 F4 N2 O3 S)

Compound Name

2-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

IUPAC name

2-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-[4-(trifluoromethyl)phenyl]-13-benzoxazole

SMILES

O=S(c(cc1)ccc1F)(N(CCC1)C1c1nc(cc(cc2)-c3ccc(C(F)(F)F)cc3)c2o1)=O

InChI

InChI=1S/C24H18F4N2O3S/c25-18-8-10-19(11-9-18)34(31,32)30-13-1-2-21(30)23-29-20-14-16(5-12-22(20)33-23)15-3-6-17(7-4-15)24(26,27)28/h3-12,14,21H,1-2,13H2/t21-/m0/s1

InChI Key

LDEZMVBCDZANRK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19969951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.173

Distribution Coefficient, logD

6.173

Water Solubility, LogSw

-6.26

Polar Surface Area

49.325

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V009-9310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9310?
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What is the minimum amount of V009-9310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9310
  • 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 V009-9310 available by request