V013-1278 Screening compound: N-(3-{[1-cyclohexyl(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)-3-methylbutanamide

V013-1278 Screening compound: N-(3-{[1-cyclohexyl(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)-3-methylbutanamide
V013-1278 Screening compound: N-(3-{[1-cyclohexyl(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1278
N-(3-{[1-cyclohexyl(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)-3-methylbutanamide

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

V013-1278

Molecular Formula

C25H42N4O2 (C25 H42 N4 O2)

Compound Name

N-(3-{[1-cyclohexyl(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)-3-methylbutanamide

IUPAC name

N-(3-{[1-cyclohexyl(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)cc(CN(C2CCCCC2)C(NC(C)(C)C)=O)c1N(C)C)=O

InChI

InChI=1S/C25H42N4O2/c1-18(2)15-23(30)26-20-13-14-22(28(6)7)19(16-20)17-29(21-11-9-8-10-12-21)24(31)27-25(3,4)5/h13-14,16,18,21H,8-12,15,17H2,1-7H3,(H,26,30)(H,27,31)

InChI Key

JJGNERLJIUPOEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19795819

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

5.731

Water Solubility, LogSw

-5.29

Polar Surface Area

50.314

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

V013-1278 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V013-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1278?
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What is the minimum amount of V013-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1278
  • 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 V013-1278 available by request