V022-1133 Screening compound: N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-1-sulfonamide

V022-1133 Screening compound: N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-1-sulfonamide
V022-1133 Screening compound: N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-1133
N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-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

V022-1133

Molecular Formula

C27H32N2O5S2 (C27 H32 N2 O5 S2)

Compound Name

N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-1-sulfonamide

IUPAC name

N-(2-{4-[(2-methoxyphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-1-sulfonamide

SMILES

CCCN(CC(N(CC1)C(COc(cccc2)c2OC)c2c1scc2)=O)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C27H32N2O5S2/c1-4-15-28(36(31,32)21-11-9-20(2)10-12-21)18-27(30)29-16-13-26-22(14-17-35-26)23(29)19-34-25-8-6-5-7-24(25)33-3/h5-12,14,17,23H,4,13,15-16,18-19H2,1-3H3/t23-/m0/s1

InChI Key

XYBWFTBKCWHVHH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19867883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.27

Polar Surface Area

63.146

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V022-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1133
  • 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 V022-1133 available by request