V001-0807 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide

V001-0807 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide
V001-0807 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0807
N-[(4-fluorophenyl)methyl]-2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-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

V001-0807

Molecular Formula

C31H30FN3O3S (C31 H30 FN3 O3 S)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-2-({[1-(4-methylphenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-13-thiazole-4-carboxamide

SMILES

CCC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCc1nc(C(NCc(cc3)ccc3F)=O)cs1)c2)=O

InChI

InChI=1S/C31H30FN3O3S/c1-3-29(36)35-15-14-22-10-13-25(16-26(22)30(35)23-8-4-20(2)5-9-23)38-18-28-34-27(19-39-28)31(37)33-17-21-6-11-24(32)12-7-21/h4-13,16,19,30H,3,14-15,17-18H2,1-2H3,(H,33,37)/t30-/m0/s1

InChI Key

MTEPGDNSGCXRLW-PMERELPUSA-N

MDL Number (MFCD)

MFCD19916322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.244

Distribution Coefficient, logD

6.244

Water Solubility, LogSw

-5.43

Polar Surface Area

57.747

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

V001-0807 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V001-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0807?
Check Price and Availability of V001-0807, 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 V001-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0807
  • 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 V001-0807 available by request