V010-9876 Screening compound: N-allyl-N-({2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-cyclopentanecarboxamide

V010-9876 Screening compound: N-allyl-N-({2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-cyclopentanecarboxamide
V010-9876 Screening compound: N-allyl-N-({2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9876
N-allyl-N-({2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-cyclopentanecarboxamide

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

V010-9876

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

N-allyl-N-({2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-cyclopentanecarboxamide

IUPAC name

N-({2-[(26-dimethoxyphenoxy)methyl]-13-thiazol-4-yl}methyl)-N-(prop-2-en-1-yl)cyclopentanecarboxamide

SMILES

COc1cccc(OC)c1OCc1nc(CN(CC=C)C(C2CCCC2)=O)cs1

InChI

InChI=1S/C22H28N2O4S/c1-4-12-24(22(25)16-8-5-6-9-16)13-17-15-29-20(23-17)14-28-21-18(26-2)10-7-11-19(21)27-3/h4,7,10-11,15-16H,1,5-6,8-9,12-14H2,2-3H3

InChI Key

ZQSAHXUWCXYEOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19864427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

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

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.19

Polar Surface Area

50.644

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

V010-9876 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-9876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9876?
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What is the minimum amount of V010-9876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9876
  • 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 V010-9876 available by request