V012-2956 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-ethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(thiophen-2-yl)methyl]acetamide

V012-2956 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-ethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(thiophen-2-yl)methyl]acetamide
V012-2956 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-ethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2956
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-ethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(thiophen-2-yl)methyl]acetamide

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

V012-2956

Molecular Formula

C29H33N3O5S (C29 H33 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-ethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(3-ethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CCc1cccc(NC(N(CC2OCCC2)CC(N(Cc2cccs2)Cc(cc2)cc3c2OCO3)=O)=O)c1

InChI

InChI=1S/C29H33N3O5S/c1-2-21-6-3-7-23(14-21)30-29(34)32(17-24-8-4-12-35-24)19-28(33)31(18-25-9-5-13-38-25)16-22-10-11-26-27(15-22)37-20-36-26/h3,5-7,9-11,13-15,24H,2,4,8,12,16-20H2,1H3,(H,30,34)/t24-/m1/s1

InChI Key

FYJAHQRSSWAXGK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19755986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.32

Polar Surface Area

67.471

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V012-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2956?
Check Price and Availability of V012-2956, 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 V012-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2956
  • 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 V012-2956 available by request