V007-9101 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide

V007-9101 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
V007-9101 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9101
N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide

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

V007-9101

Molecular Formula

C31H35FN4O3 (C31 H35 FN4 O3)

Compound Name

N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide

IUPAC name

N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-124-triazol-1-yl]phenyl}-4-hexylbenzamide

SMILES

CCCCCCc(cc1)ccc1C(Nc(cc1)ccc1-n(c(-c1cccc(F)c1)n1)nc1OCCOCC)=O

InChI

InChI=1S/C31H35FN4O3/c1-3-5-6-7-9-23-12-14-24(15-13-23)30(37)33-27-16-18-28(19-17-27)36-29(25-10-8-11-26(32)22-25)34-31(35-36)39-21-20-38-4-2/h8,10-19,22H,3-7,9,20-21H2,1-2H3,(H,33,37)

InChI Key

NVNIKFPRKNCIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19754189

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.996

Distribution Coefficient, logD

7.996

Water Solubility, LogSw

-5.65

Polar Surface Area

62.176

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

V007-9101 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V007-9101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9101?
Check Price and Availability of V007-9101, 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 V007-9101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9101
  • 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 V007-9101 available by request