V003-7730 Screening compound: 2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

V003-7730 Screening compound: 2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
V003-7730 Screening compound: 2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7730
2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methoxyethyl)-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

V003-7730

Molecular Formula

C28H32FN3O4S (C28 H32 FN3 O4 S)

Compound Name

2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

IUPAC name

2-({[2-(22-dimethylpropanoyl)-1-(3-fluorophenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methoxyethyl)-13-thiazole-4-carboxamide

SMILES

CC(C)(C)C(N(CC1)C(c2cc(F)ccc2)c2c1ccc(OCc1nc(C(NCCOC)=O)cs1)c2)=O

InChI

InChI=1S/C28H32FN3O4S/c1-28(2,3)27(34)32-12-10-18-8-9-21(15-22(18)25(32)19-6-5-7-20(29)14-19)36-16-24-31-23(17-37-24)26(33)30-11-13-35-4/h5-9,14-15,17,25H,10-13,16H2,1-4H3,(H,30,33)/t25-/m0/s1

InChI Key

KZKZJPMXKSJOLL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19916589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.05

Polar Surface Area

66.730

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V003-7730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7730?
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What is the minimum amount of V003-7730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7730
  • 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 V003-7730 available by request