V002-3959 Screening compound: 2-[1-(4-fluorophenyl)-N-(2-methoxyethyl)formamido]-N-[4-(2-oxo-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl)-1,3-thiazol-2-yl]acetamide

V002-3959 Screening compound: 2-[1-(4-fluorophenyl)-N-(2-methoxyethyl)formamido]-N-[4-(2-oxo-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl)-1,3-thiazol-2-yl]acetamide
V002-3959 Screening compound: 2-[1-(4-fluorophenyl)-N-(2-methoxyethyl)formamido]-N-[4-(2-oxo-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3959
2-[1-(4-fluorophenyl)-N-(2-methoxyethyl)formamido]-N-[4-(2-oxo-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl)-1,3-thiazol-2-yl]acetamide

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

V002-3959

Molecular Formula

C27H35FN4O4S (C27 H35 FN4 O4 S)

Compound Name

2-[1-(4-fluorophenyl)-N-(2-methoxyethyl)formamido]-N-[4-(2-oxo-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-[1-(4-fluorophenyl)-N-(2-methoxyethyl)formamido]-N-[4-(2-oxo-2-{133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl)-13-thiazol-2-yl]acetamide

SMILES

CC(C1)(C2)CC(C)(C)CC1N2C(Cc1csc(NC(CN(CCOC)C(c(cc2)ccc2F)=O)=O)n1)=O

InChI

InChI=1S/C27H35FN4O4S/c1-26(2)12-21-13-27(3,16-26)17-32(21)23(34)11-20-15-37-25(29-20)30-22(33)14-31(9-10-36-4)24(35)18-5-7-19(28)8-6-18/h5-8,15,21H,9-14,16-17H2,1-4H3,(H,29,30,33)

InChI Key

ZPMYUHXNLTUTDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19764855

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.65

Polar Surface Area

74.268

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

V002-3959 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3959?
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What is the minimum amount of V002-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3959
  • 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 V002-3959 available by request