V001-1517 Screening compound: N~1~-(sec-butyl)-N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}nonanamide

V001-1517 Screening compound: N~1~-(sec-butyl)-N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}nonanamide
V001-1517 Screening compound: N~1~-(sec-butyl)-N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1517
N~1~-(sec-butyl)-N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}nonanamide

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

V001-1517

Molecular Formula

C27H39FN2O2S (C27 H39 FN2 O2 S)

Compound Name

N~1~-(sec-butyl)-N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}nonanamide

IUPAC name

N-(butan-2-yl)-N-({[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)nonanamide

SMILES

CCCCCCCCC(N(CC(N(Cc1cccs1)Cc(cc1)ccc1F)=O)C(C)CC)=O

InChI

InChI=1S/C27H39FN2O2S/c1-4-6-7-8-9-10-13-26(31)30(22(3)5-2)21-27(32)29(20-25-12-11-18-33-25)19-23-14-16-24(28)17-15-23/h11-12,14-18,22H,4-10,13,19-21H2,1-3H3/t22-/m0/s1

InChI Key

AXHTYRUNWVZUEJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19749137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.834

Distribution Coefficient, logD

6.834

Water Solubility, LogSw

-5.65

Polar Surface Area

32.224

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with V001-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1517?
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What is the minimum amount of V001-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1517
  • 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 V001-1517 available by request