V008-5579 Screening compound: N~1~-(3-ethoxypropyl)-N~1~-{2-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-(trifluoromethyl)-1-benzenesulfonamide

V008-5579 Screening compound: N~1~-(3-ethoxypropyl)-N~1~-{2-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-(trifluoromethyl)-1-benzenesulfonamide
V008-5579 Screening compound: N~1~-(3-ethoxypropyl)-N~1~-{2-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-(trifluoromethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5579
N~1~-(3-ethoxypropyl)-N~1~-{2-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-(trifluoromethyl)-1-benzenesulfonamide

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

V008-5579

Molecular Formula

C28H31F3N2O4S2 (C28 H31 F3 N2 O4 S2)

Compound Name

N~1~-(3-ethoxypropyl)-N~1~-{2-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-(trifluoromethyl)-1-benzenesulfonamide

IUPAC name

N-(3-ethoxypropyl)-N-{2-[4-(4-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]-2-oxoethyl}-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

CCOCCCN(CC(N(CCc1c2ccs1)C2c1ccc(C)cc1)=O)S(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C28H31F3N2O4S2/c1-3-37-16-5-14-32(39(35,36)23-7-4-6-22(18-23)28(29,30)31)19-26(34)33-15-12-25-24(13-17-38-25)27(33)21-10-8-20(2)9-11-21/h4,6-11,13,17-18,27H,3,5,12,14-16,19H2,1-2H3/t27-/m1/s1

InChI Key

FSZDWHXGCVIXFZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19748749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.000

Distribution Coefficient, logD

6.000

Water Solubility, LogSw

-5.53

Polar Surface Area

55.955

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V008-5579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5579?
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What is the minimum amount of V008-5579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5579
  • 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 V008-5579 available by request