V015-5389 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)-3,3-dimethylbutanamide

V015-5389 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)-3,3-dimethylbutanamide
V015-5389 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5389
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)-3,3-dimethylbutanamide

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

V015-5389

Molecular Formula

C26H36N2O4S (C26 H36 N2 O4 S)

Compound Name

N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)-3,3-dimethylbutanamide

IUPAC name

N-({[(2H-13-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)-33-dimethylbutanamide

SMILES

CCC(C)N(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(CC(C)(C)C)=O

InChI

InChI=1S/C26H36N2O4S/c1-7-19(3)28(24(29)13-26(4,5)6)16-25(30)27(15-23-18(2)10-11-33-23)14-20-8-9-21-22(12-20)32-17-31-21/h8-12,19H,7,13-17H2,1-6H3/t19-/m0/s1

InChI Key

SWNRMAZQRAMSCW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10459615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.427

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.41

Polar Surface Area

49.339

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with V015-5389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5389?
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What is the minimum amount of V015-5389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5389
  • 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 V015-5389 available by request