V026-9531 Screening compound: 2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethane-1-sulfonate

V026-9531 Screening compound: 2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethane-1-sulfonate
V026-9531 Screening compound: 2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9531
2-[(N-cyclopropyl-3,3-dimethylbutanamido)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

V026-9531

Molecular Formula

C22H36N2O4S (C22 H36 N2 O4 S)

Compound Name

2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethane-1-sulfonate

IUPAC name

2-[(N-cyclopropyl-33-dimethylbutanamido)methyl]-5-(diethylamino)phenyl ethane-1-sulfonate

SMILES

CCN(CC)c1cc(OS(CC)(=O)=O)c(CN(C2CC2)C(CC(C)(C)C)=O)cc1

InChI

InChI=1S/C22H36N2O4S/c1-7-23(8-2)19-11-10-17(20(14-19)28-29(26,27)9-3)16-24(18-12-13-18)21(25)15-22(4,5)6/h10-11,14,18H,7-9,12-13,15-16H2,1-6H3

InChI Key

GWTLXVCXVNCGPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19802304

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.6

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

4.574

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.53

Polar Surface Area

53.429

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

References: we are preparing a list of scientific research reports with V026-9531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9531?
Check Price and Availability of V026-9531, 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 V026-9531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9531
  • 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 V026-9531 available by request