V030-5382 Screening compound: 3-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

V030-5382 Screening compound: 3-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate
V030-5382 Screening compound: 3-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5382
3-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl ethane-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

V030-5382

Molecular Formula

C17H26N2O4S (C17 H26 N2 O4 S)

Compound Name

3-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

IUPAC name

3-{[(cyclopropylmethyl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc1cc(CN(CC2CC2)C(NC(C)C)=O)ccc1)(=O)=O

InChI

InChI=1S/C17H26N2O4S/c1-4-24(21,22)23-16-7-5-6-15(10-16)12-19(11-14-8-9-14)17(20)18-13(2)3/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H,18,20)

InChI Key

JZJPDWRAYICTMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-3.58

Polar Surface Area

61.198

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with V030-5382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5382?
Check Price and Availability of V030-5382, 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 V030-5382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5382
  • 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 V030-5382 available by request