V029-4107 Screening compound: 3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate

V029-4107 Screening compound: 3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
V029-4107 Screening compound: 3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4107
3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-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

V029-4107

Molecular Formula

C20H25ClN2O4S (C20 H25 ClN2 O4 S)

Compound Name

3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate

IUPAC name

3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate

SMILES

CCNC(N(Cc1cccc(OS(c(c(C)ccc2)c2Cl)(=O)=O)c1)C(C)C)=O

InChI

InChI=1S/C20H25ClN2O4S/c1-5-22-20(24)23(14(2)3)13-16-9-7-10-17(12-16)27-28(25,26)19-15(4)8-6-11-18(19)21/h6-12,14H,5,13H2,1-4H3,(H,22,24)

InChI Key

OTBRZASMMVDRDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.151

Water Solubility, LogSw

-4.40

Polar Surface Area

61.995

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V029-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4107?
Check Price and Availability of V029-4107, 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 V029-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4107
  • 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 V029-4107 available by request