V029-6987 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)propanamide

V029-6987 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)propanamide
V029-6987 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6987
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-(butan-2-yl)propanamide

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

V029-6987

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-5-17(4)25(22(26)6-2)14-23(27)24(13-21-16(3)9-10-30-21)12-18-7-8-19-20(11-18)29-15-28-19/h7-11,17H,5-6,12-15H2,1-4H3/t17-/m0/s1

InChI Key

NVPVXVLSDDCKJP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10459608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.16

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

47.80

V029-6987 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V029-6987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6987?
Check Price and Availability of V029-6987, 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 V029-6987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6987
  • 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 V029-6987 available by request