V022-0135 Screening compound: 3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-propylbenzamide

V022-0135 Screening compound: 3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-propylbenzamide
V022-0135 Screening compound: 3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0135
3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-propylbenzamide

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

V022-0135

Molecular Formula

C28H31ClN2O3S (C28 H31 ClN2 O3 S)

Compound Name

3-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-propylbenzamide

IUPAC name

3-chloro-N-(2-{4-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-propylbenzamide

SMILES

CCCN(CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C28H31ClN2O3S/c1-4-12-30(28(33)21-6-5-7-22(29)16-21)17-27(32)31-13-10-26-23(11-14-35-26)24(31)18-34-25-9-8-19(2)15-20(25)3/h5-9,11,14-16,24H,4,10,12-13,17-18H2,1-3H3/t24-/m0/s1

InChI Key

IIYSXDTYLGGIGX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19866022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.581

Distribution Coefficient, logD

6.581

Water Solubility, LogSw

-6.24

Polar Surface Area

40.351

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V022-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0135
  • 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 V022-0135 available by request