V014-5023 Screening compound: 3-(4-methoxyphenyl)-1-{3-[3-(propan-2-yloxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}urea

V014-5023 Screening compound: 3-(4-methoxyphenyl)-1-{3-[3-(propan-2-yloxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}urea
V014-5023 Screening compound: 3-(4-methoxyphenyl)-1-{3-[3-(propan-2-yloxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5023
3-(4-methoxyphenyl)-1-{3-[3-(propan-2-yloxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}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

V014-5023

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

3-(4-methoxyphenyl)-1-{3-[3-(propan-2-yloxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}urea

IUPAC name

3-(4-methoxyphenyl)-1-{3-[3-(propan-2-yloxy)-5-(thiophen-2-yl)-1H-124-triazol-1-yl]phenyl}urea

SMILES

CC(C)Oc(nc1-c2cccs2)nn1-c1cc(NC(Nc(cc2)ccc2OC)=O)ccc1

InChI

InChI=1S/C23H23N5O3S/c1-15(2)31-23-26-21(20-8-5-13-32-20)28(27-23)18-7-4-6-17(14-18)25-22(29)24-16-9-11-19(30-3)12-10-16/h4-15H,1-3H3,(H2,24,25,29)

InChI Key

NBRDIVPQLKWECA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784133

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.048

Distribution Coefficient, logD

6.048

Water Solubility, LogSw

-5.51

Polar Surface Area

71.358

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V014-5023 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-5023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5023?
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What is the minimum amount of V014-5023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5023
  • 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 V014-5023 available by request