V029-4084 Screening compound: 5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

V029-4084 Screening compound: 5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
V029-4084 Screening compound: 5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4084
5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-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

V029-4084

Molecular Formula

C28H33FN2O5S (C28 H33 FN2 O5 S)

Compound Name

5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

IUPAC name

5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c(cc2)ccc2OC)(=O)=O)c(CN(C(C)C)C(c2cc(F)ccc2)=O)cc1

InChI

InChI=1S/C28H33FN2O5S/c1-6-30(7-2)24-12-11-22(19-31(20(3)4)28(32)21-9-8-10-23(29)17-21)27(18-24)36-37(33,34)26-15-13-25(35-5)14-16-26/h8-18,20H,6-7,19H2,1-5H3

InChI Key

JVBDVLVZEQVWKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787591

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.51

Polar Surface Area

62.321

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V029-4084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4084?
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What is the minimum amount of V029-4084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4084
  • 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 V029-4084 available by request