V029-7676 Screening compound: 4-[{2-[isopentyl(propylsulfonyl)amino]acetyl}(2-methylbenzyl)amino]-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyridinecarboxamide

V029-7676 Screening compound: 4-[{2-[isopentyl(propylsulfonyl)amino]acetyl}(2-methylbenzyl)amino]-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyridinecarboxamide
V029-7676 Screening compound: 4-[{2-[isopentyl(propylsulfonyl)amino]acetyl}(2-methylbenzyl)amino]-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7676
4-[{2-[isopentyl(propylsulfonyl)amino]acetyl}(2-methylbenzyl)amino]-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyridinecarboxamide

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

V029-7676

Molecular Formula

C31H46N4O5S (C31 H46 N4 O5 S)

Compound Name

4-[{2-[isopentyl(propylsulfonyl)amino]acetyl}(2-methylbenzyl)amino]-N~1~-(3-methoxyphenyl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(3-methoxyphenyl)-4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carboxamide

SMILES

CCCS(N(CCC(C)C)CC(N(Cc1c(C)cccc1)C(CC1)CCN1C(Nc1cc(OC)ccc1)=O)=O)(=O)=O

InChI

InChI=1S/C31H46N4O5S/c1-6-20-41(38,39)34(19-14-24(2)3)23-30(36)35(22-26-11-8-7-10-25(26)4)28-15-17-33(18-16-28)31(37)32-27-12-9-13-29(21-27)40-5/h7-13,21,24,28H,6,14-20,22-23H2,1-5H3,(H,32,37)

InChI Key

NJNIWAMSOJFVJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.41

Polar Surface Area

79.507

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.84

References: we are preparing a list of scientific research reports with V029-7676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7676?
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What is the minimum amount of V029-7676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7676
  • 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 V029-7676 available by request