V003-8121 Screening compound: ethyl 3-[(2-{2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-amido}cyclohexyl)carbamoyl]propanoate

V003-8121 Screening compound: ethyl 3-[(2-{2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-amido}cyclohexyl)carbamoyl]propanoate
V003-8121 Screening compound: ethyl 3-[(2-{2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-amido}cyclohexyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8121
ethyl 3-[(2-{2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-amido}cyclohexyl)carbamoyl]propanoate

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

V003-8121

Molecular Formula

C23H28FN3O5S (C23 H28 FN3 O5 S)

Compound Name

ethyl 3-[(2-{2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-amido}cyclohexyl)carbamoyl]propanoate

IUPAC name

ethyl 3-[(2-{2-[(2-fluorophenoxy)methyl]-13-thiazole-4-amido}cyclohexyl)carbamoyl]propanoate

SMILES

CCOC(CCC(NC(CCCC1)C1NC(c1csc(COc(cccc2)c2F)n1)=O)=O)=O

InChI

InChI=1S/C23H28FN3O5S/c1-2-31-22(29)12-11-20(28)25-16-8-4-5-9-17(16)27-23(30)18-14-33-21(26-18)13-32-19-10-6-3-7-15(19)24/h3,6-7,10,14,16-17H,2,4-5,8-9,11-13H2,1H3,(H,25,28)(H,27,30)

InChI Key

HRWBYCQADOLFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.69

Polar Surface Area

87.136

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with V003-8121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8121?
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What is the minimum amount of V003-8121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8121
  • 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 V003-8121 available by request