V030-3622 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]methyl}-5-(diethylamino)phenyl ethane-1-sulfonate

V030-3622 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]methyl}-5-(diethylamino)phenyl ethane-1-sulfonate
V030-3622 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]methyl}-5-(diethylamino)phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3622
2-{[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]methyl}-5-(diethylamino)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

V030-3622

Molecular Formula

C22H30N2O4S2 (C22 H30 N2 O4 S2)

Compound Name

2-{[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]methyl}-5-(diethylamino)phenyl ethane-1-sulfonate

IUPAC name

2-{[N-(cyclopropylmethyl)-1-(thiophen-2-yl)formamido]methyl}-5-(diethylamino)phenyl ethane-1-sulfonate

SMILES

CCN(CC)c1cc(OS(CC)(=O)=O)c(CN(CC2CC2)C(c2cccs2)=O)cc1

InChI

InChI=1S/C22H30N2O4S2/c1-4-23(5-2)19-12-11-18(20(14-19)28-30(26,27)6-3)16-24(15-17-9-10-17)22(25)21-8-7-13-29-21/h7-8,11-14,17H,4-6,9-10,15-16H2,1-3H3

InChI Key

BQJROWRAYJXHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499520

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.33

Polar Surface Area

55.651

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V030-3622 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-3622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3622?
Check Price and Availability of V030-3622, 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 V030-3622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3622
  • 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 V030-3622 available by request