V030-3552 Screening compound: 5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethane-1-sulfonate

V030-3552 Screening compound: 5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethane-1-sulfonate
V030-3552 Screening compound: 5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3552
5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethane-1-sulfonate

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

V030-3552

Molecular Formula

C23H30FNO5S (C23 H30 FNO5 S)

Compound Name

5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-({N-[(4-fluorophenyl)methyl]-33-dimethylbutanamido}methyl)-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(Cc(cc1)ccc1F)C(CC(C)(C)C)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C23H30FNO5S/c1-6-31(27,28)30-21-13-18(9-12-20(21)29-5)16-25(22(26)14-23(2,3)4)15-17-7-10-19(24)11-8-17/h7-13H,6,14-16H2,1-5H3

InChI Key

CAAGNTYOPXOURL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-4.18

Polar Surface Area

58.748

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V030-3552 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V030-3552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3552?
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What is the minimum amount of V030-3552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3552
  • 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 V030-3552 available by request