V001-7653 Screening compound: 4-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}phenyl propane-2-sulfonate

V001-7653 Screening compound: 4-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}phenyl propane-2-sulfonate
V001-7653 Screening compound: 4-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}phenyl propane-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-7653
4-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}phenyl propane-2-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

V001-7653

Molecular Formula

C18H30N2O4S (C18 H30 N2 O4 S)

Compound Name

4-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}phenyl propane-2-sulfonate

IUPAC name

n/a

SMILES

CC(C)N(Cc(cc1)ccc1OS(C(C)C)(=O)=O)C(NC(C)(C)C)=O

InChI

InChI=1S/C18H30N2O4S/c1-13(2)20(17(21)19-18(5,6)7)12-15-8-10-16(11-9-15)24-25(22,23)14(3)4/h8-11,13-14H,12H2,1-7H3,(H,19,21)

InChI Key

BDIMWZXWTZAIBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.51

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

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.71

Polar Surface Area

61.465

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with V001-7653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-7653?
Check Price and Availability of V001-7653, 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 V001-7653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-7653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-7653
  • 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 V001-7653 available by request