V002-7539 Screening compound: ethyl 3-({4-[3-(propan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate

V002-7539 Screening compound: ethyl 3-({4-[3-(propan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate
V002-7539 Screening compound: ethyl 3-({4-[3-(propan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7539
ethyl 3-({4-[3-(propan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}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

V002-7539

Molecular Formula

C24H25F3N4O4 (C24 H25 F3 N4 O4)

Compound Name

ethyl 3-({4-[3-(propan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate

IUPAC name

ethyl 3-({4-[3-(propan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}carbamoyl)propanoate

SMILES

CCOC(CCC(Nc(cc1)ccc1-n(c(-c1cccc(C(F)(F)F)c1)n1)nc1OC(C)C)=O)=O

InChI

InChI=1S/C24H25F3N4O4/c1-4-34-21(33)13-12-20(32)28-18-8-10-19(11-9-18)31-22(29-23(30-31)35-15(2)3)16-6-5-7-17(14-16)24(25,26)27/h5-11,14-15H,4,12-13H2,1-3H3,(H,28,32)

InChI Key

ATLVVJZEQWAYFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758525

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.48

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

5.052

Distribution Coefficient, logD

5.052

Water Solubility, LogSw

-4.57

Polar Surface Area

73.801

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V002-7539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7539?
Check Price and Availability of V002-7539, 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 V002-7539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7539
  • 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 V002-7539 available by request