V030-7814 Screening compound: 2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide

V030-7814 Screening compound: 2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide
V030-7814 Screening compound: 2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7814
2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide

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

V030-7814

Molecular Formula

C29H33N3O3S (C29 H33 N3 O3 S)

Compound Name

2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide

IUPAC name

2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-13-thiazole-4-carboxamide

SMILES

CC(C)CC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCc1nc(C(NCC=C)=O)cs1)c2)=O

InChI

InChI=1S/C29H33N3O3S/c1-5-13-30-29(34)25-18-36-26(31-25)17-35-23-11-10-21-12-14-32(27(33)15-19(2)3)28(24(21)16-23)22-8-6-20(4)7-9-22/h5-11,16,18-19,28H,1,12-15,17H2,2-4H3,(H,30,34)/t28-/m0/s1

InChI Key

UZXLFUAHXZIJBA-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19916854

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

5.834

Water Solubility, LogSw

-5.45

Polar Surface Area

57.860

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

V030-7814 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 V030-7814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7814?
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What is the minimum amount of V030-7814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7814
  • 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 V030-7814 available by request