V015-9906 Screening compound: N-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)-2-ethyl-N-(2-methylpropyl)hexanamide

V015-9906 Screening compound: N-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)-2-ethyl-N-(2-methylpropyl)hexanamide
V015-9906 Screening compound: N-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)-2-ethyl-N-(2-methylpropyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9906
N-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)-2-ethyl-N-(2-methylpropyl)hexanamide

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

V015-9906

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

N-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)-2-ethyl-N-(2-methylpropyl)hexanamide

IUPAC name

N-({[5-(2H-13-benzodioxol-5-yl)-134-thiadiazol-2-yl]carbamoyl}methyl)-2-ethyl-N-(2-methylpropyl)hexanamide

SMILES

CCCCC(CC)C(N(CC(C)C)CC(Nc1nnc(-c(cc2)cc3c2OCO3)s1)=O)=O

InChI

InChI=1S/C23H32N4O4S/c1-5-7-8-16(6-2)22(29)27(12-15(3)4)13-20(28)24-23-26-25-21(32-23)17-9-10-18-19(11-17)31-14-30-18/h9-11,15-16H,5-8,12-14H2,1-4H3,(H,24,26,28)/t16-/m0/s1

InChI Key

PGWYMUSGPOKXDP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19976994

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.765

Distribution Coefficient, logD

5.765

Water Solubility, LogSw

-5.43

Polar Surface Area

80.259

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with V015-9906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9906?
Check Price and Availability of V015-9906, 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 V015-9906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9906
  • 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 V015-9906 available by request