V014-0728 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carboxamide

V014-0728 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carboxamide
V014-0728 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0728
N-[(4-fluorophenyl)methyl]-2-({[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carboxamide

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

V014-0728

Molecular Formula

C30H29FN4O3 (C30 H29 FN4 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-2-({[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-({[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}methyl)-13-oxazole-4-carboxamide

SMILES

COc1c(CN(CCc2c[nH]c3c2cccc3)Cc2nc(C(NCc(cc3)ccc3F)=O)co2)cccc1

InChI

InChI=1S/C30H29FN4O3/c1-37-28-9-5-2-6-23(28)18-35(15-14-22-17-32-26-8-4-3-7-25(22)26)19-29-34-27(20-38-29)30(36)33-16-21-10-12-24(31)13-11-21/h2-13,17,20,32H,14-16,18-19H2,1H3,(H,33,36)

InChI Key

QLEXNAKAWXFNDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829567

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.74

Polar Surface Area

63.977

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V014-0728 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indole Derivatives (10091 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0728?
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What is the minimum amount of V014-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0728
  • 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 V014-0728 available by request