V011-4504 Screening compound: butyl 2-{[5-(diethylsulfamoyl)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoate

V011-4504 Screening compound: butyl 2-{[5-(diethylsulfamoyl)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoate
V011-4504 Screening compound: butyl 2-{[5-(diethylsulfamoyl)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4504
butyl 2-{[5-(diethylsulfamoyl)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoate

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

V011-4504

Molecular Formula

C21H33N3O4S2 (C21 H33 N3 O4 S2)

Compound Name

butyl 2-{[5-(diethylsulfamoyl)-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoate

IUPAC name

butyl 2-{[5-(diethylsulfamoyl)-1-(propan-2-yl)-1H-13-benzodiazol-2-yl]sulfanyl}propanoate

SMILES

CCCCOC(C(C)Sc1nc(cc(cc2)S(N(CC)CC)(=O)=O)c2n1C(C)C)=O

InChI

InChI=1S/C21H33N3O4S2/c1-7-10-13-28-20(25)16(6)29-21-22-18-14-17(30(26,27)23(8-2)9-3)11-12-19(18)24(21)15(4)5/h11-12,14-16H,7-10,13H2,1-6H3/t16-/m0/s1

InChI Key

GVLGBUZGENXVOT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19960338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-4.95

Polar Surface Area

64.240

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with V011-4504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4504?
Check Price and Availability of V011-4504, 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 V011-4504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4504
  • 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 V011-4504 available by request