V003-2093 Screening compound: 5-{[(butan-2-yl)[(2,6-dimethylphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

V003-2093 Screening compound: 5-{[(butan-2-yl)[(2,6-dimethylphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
V003-2093 Screening compound: 5-{[(butan-2-yl)[(2,6-dimethylphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2093
5-{[(butan-2-yl)[(2,6-dimethylphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl 4-fluorobenzene-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

V003-2093

Molecular Formula

C27H31FN2O5S (C27 H31 FN2 O5 S)

Compound Name

5-{[(butan-2-yl)[(2,6-dimethylphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

IUPAC name

5-{[(butan-2-yl)[(26-dimethylphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

SMILES

CCC(C)N(Cc(cc1)cc(OS(c(cc2)ccc2F)(=O)=O)c1OC)C(Nc1c(C)cccc1C)=O

InChI

InChI=1S/C27H31FN2O5S/c1-6-20(4)30(27(31)29-26-18(2)8-7-9-19(26)3)17-21-10-15-24(34-5)25(16-21)35-36(32,33)23-13-11-22(28)12-14-23/h7-16,20H,6,17H2,1-5H3,(H,29,31)/t20-/m0/s1

InChI Key

VJGKACBOXIKRQB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19746692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.42

Polar Surface Area

66.681

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V003-2093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2093?
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What is the minimum amount of V003-2093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2093
  • 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 V003-2093 available by request