V023-0229 Screening compound: N-tert-butyl-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-fluorobenzamide

V023-0229 Screening compound: N-tert-butyl-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-fluorobenzamide
V023-0229 Screening compound: N-tert-butyl-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-0229
N-tert-butyl-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-fluorobenzamide

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

V023-0229

Molecular Formula

C27H28ClFN2O3S (C27 H28 ClFN2 O3 S)

Compound Name

N-tert-butyl-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-fluorobenzamide

IUPAC name

N-tert-butyl-N-(2-{4-[(4-chlorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-4-fluorobenzamide

SMILES

CC(C)(C)N(CC(N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2)=O)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C27H28ClFN2O3S/c1-27(2,3)31(26(33)18-4-8-20(29)9-5-18)16-25(32)30-14-12-24-22(13-15-35-24)23(30)17-34-21-10-6-19(28)7-11-21/h4-11,13,15,23H,12,14,16-17H2,1-3H3/t23-/m0/s1

InChI Key

UHFGAORFALKXLE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19864889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

5.680

Water Solubility, LogSw

-5.94

Polar Surface Area

40.393

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V023-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-0229?
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What is the minimum amount of V023-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-0229
  • 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 V023-0229 available by request