V012-7836 Screening compound: 1-{4-[5-(3-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

V012-7836 Screening compound: 1-{4-[5-(3-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea
V012-7836 Screening compound: 1-{4-[5-(3-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7836
1-{4-[5-(3-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

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

V012-7836

Molecular Formula

C26H26FN5O3 (C26 H26 FN5 O3)

Compound Name

1-{4-[5-(3-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

IUPAC name

1-{4-[5-(3-fluorophenyl)-3-(2-methylpropoxy)-1H-124-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

SMILES

CC(C)COc(nc1-c2cccc(F)c2)nn1-c(cc1)ccc1NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C26H26FN5O3/c1-17(2)16-35-26-30-24(18-6-4-7-19(27)14-18)32(31-26)22-12-10-20(11-13-22)28-25(33)29-21-8-5-9-23(15-21)34-3/h4-15,17H,16H2,1-3H3,(H2,28,29,33)

InChI Key

ADDCEIMNASZVEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779491

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.866

Distribution Coefficient, logD

6.866

Water Solubility, LogSw

-5.74

Polar Surface Area

71.036

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V012-7836 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-7836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7836?
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What is the minimum amount of V012-7836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7836
  • 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 V012-7836 available by request