V001-8627 Screening compound: 3-(N-benzyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-[(pyridin-2-yl)methyl]propanamide

V001-8627 Screening compound: 3-(N-benzyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-[(pyridin-2-yl)methyl]propanamide
V001-8627 Screening compound: 3-(N-benzyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8627
3-(N-benzyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-[(pyridin-2-yl)methyl]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

V001-8627

Molecular Formula

C27H27N5O3S (C27 H27 N5 O3 S)

Compound Name

3-(N-benzyl-1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-[(pyridin-2-yl)methyl]propanamide

IUPAC name

3-(N-benzyl-1-{2-[(2-methoxyphenyl)amino]-13-thiazol-4-yl}formamido)-N-[(pyridin-2-yl)methyl]propanamide

SMILES

COc(cccc1)c1Nc1nc(C(N(CCC(NCc2ncccc2)=O)Cc2ccccc2)=O)cs1

InChI

InChI=1S/C27H27N5O3S/c1-35-24-13-6-5-12-22(24)30-27-31-23(19-36-27)26(34)32(18-20-9-3-2-4-10-20)16-14-25(33)29-17-21-11-7-8-15-28-21/h2-13,15,19H,14,16-18H2,1H3,(H,29,33)(H,30,31)

InChI Key

LFADBLJMDDCVTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.19

Polar Surface Area

76.062

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V001-8627 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-8627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8627?
Check Price and Availability of V001-8627, 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 V001-8627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8627
  • 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 V001-8627 available by request