V006-3289 Screening compound: 5-(2,4-difluorophenyl)-2-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole

V006-3289 Screening compound: 5-(2,4-difluorophenyl)-2-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole
V006-3289 Screening compound: 5-(2,4-difluorophenyl)-2-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3289
5-(2,4-difluorophenyl)-2-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-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

V006-3289

Molecular Formula

C27H20F2N2O3S (C27 H20 F2 N2 O3 S)

Compound Name

5-(2,4-difluorophenyl)-2-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole

IUPAC name

5-(24-difluorophenyl)-2-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-13-benzoxazole

SMILES

O=S(c1cc2ccccc2cc1)(N(CCC1)C1c1nc(cc(cc2)-c(ccc(F)c3)c3F)c2o1)=O

InChI

InChI=1S/C27H20F2N2O3S/c28-20-9-11-22(23(29)16-20)19-8-12-26-24(15-19)30-27(34-26)25-6-3-13-31(25)35(32,33)21-10-7-17-4-1-2-5-18(17)14-21/h1-2,4-5,7-12,14-16,25H,3,6,13H2/t25-/m0/s1

InChI Key

ICGOATYFFAUINX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19969943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.532

Distribution Coefficient, logD

6.532

Water Solubility, LogSw

-6.89

Polar Surface Area

49.053

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V006-3289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3289?
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What is the minimum amount of V006-3289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3289
  • 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 V006-3289 available by request