V030-4045 Screening compound: N-butyl-N-(2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

V030-4045 Screening compound: N-butyl-N-(2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide
V030-4045 Screening compound: N-butyl-N-(2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4045
N-butyl-N-(2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

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

V030-4045

Molecular Formula

C23H27F3N4O3S (C23 H27 F3 N4 O3 S)

Compound Name

N-butyl-N-(2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-butyl-N-(2-{3-[4-(dimethylamino)phenyl]-124-oxadiazol-5-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

CCCCN(CCc1nc(-c(cc2)ccc2N(C)C)no1)S(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C23H27F3N4O3S/c1-4-5-14-30(34(31,32)20-8-6-7-18(16-20)23(24,25)26)15-13-21-27-22(28-33-21)17-9-11-19(12-10-17)29(2)3/h6-12,16H,4-5,13-15H2,1-3H3

InChI Key

QBCBIGDNFSDMCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493800

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.63

Polar Surface Area

65.718

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with V030-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4045?
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What is the minimum amount of V030-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4045
  • 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 V030-4045 available by request