V027-4693 Screening compound: N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide

V027-4693 Screening compound: N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide
V027-4693 Screening compound: N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4693
N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-1-phenyl-1H-1,2,4-triazole-3-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

V027-4693

Molecular Formula

C17H23N5O (C17 H23 N5 O)

Compound Name

N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1H-124-triazole-3-carboxamide

SMILES

CCN1C(CNC(c(nc2C)nn2-c2ccccc2)=O)CCC1

InChI

InChI=1S/C17H23N5O/c1-3-21-11-7-10-15(21)12-18-17(23)16-19-13(2)22(20-16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,18,23)/t15-/m1/s1

InChI Key

ILAMBWFPYQIIMZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19971104

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.514

Distribution Coefficient, logD

0.411

Water Solubility, LogSw

-2.06

Polar Surface Area

53.258

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

V027-4693 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-4693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4693?
Check Price and Availability of V027-4693, 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 V027-4693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4693
  • 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 V027-4693 available by request