V001-5726 Screening compound: 3-{[(butan-2-yl)[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V001-5726 Screening compound: 3-{[(butan-2-yl)[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V001-5726 Screening compound: 3-{[(butan-2-yl)[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5726
3-{[(butan-2-yl)[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-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

V001-5726

Molecular Formula

C27H29F3N2O6S (C27 H29 F3 N2 O6 S)

Compound Name

3-{[(butan-2-yl)[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

3-{[(butan-2-yl)[(35-dimethoxyphenyl)carbamoyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCC(C)N(Cc1cccc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1)C(Nc1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C27H29F3N2O6S/c1-5-18(2)32(26(33)31-21-14-23(36-3)16-24(15-21)37-4)17-19-8-6-10-22(12-19)38-39(34,35)25-11-7-9-20(13-25)27(28,29)30/h6-16,18H,5,17H2,1-4H3,(H,31,33)/t18-/m0/s1

InChI Key

HCDBKVLKQABAOI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19750392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.098

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.57

Polar Surface Area

75.448

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V001-5726 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V001-5726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5726?
Check Price and Availability of V001-5726, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-5726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5726
  • 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 V001-5726 available by request