V029-0685 Screening compound: 1-CYCLOPROPYL-N-(3-FLUOROPHENYL)-3-(2-METHYLPROPYL)-2-OXO-1,4,8-TRIAZASPIRO[4.5]DECANE-8-CARBOXAMIDE

V029-0685 Screening compound: 1-CYCLOPROPYL-N-(3-FLUOROPHENYL)-3-(2-METHYLPROPYL)-2-OXO-1,4,8-TRIAZASPIRO[4.5]DECANE-8-CARBOXAMIDE
V029-0685 Screening compound: 1-CYCLOPROPYL-N-(3-FLUOROPHENYL)-3-(2-METHYLPROPYL)-2-OXO-1,4,8-TRIAZASPIRO[4.5]DECANE-8-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0685
1-CYCLOPROPYL-N-(3-FLUOROPHENYL)-3-(2-METHYLPROPYL)-2-OXO-1,4,8-TRIAZASPIRO[4.5]DECANE-8-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

V029-0685

Molecular Formula

C21H29FN4O2 (C21 H29 FN4 O2)

Compound Name

1-CYCLOPROPYL-N-(3-FLUOROPHENYL)-3-(2-METHYLPROPYL)-2-OXO-1,4,8-TRIAZASPIRO[4.5]DECANE-8-CARBOXAMIDE

IUPAC name

1-cyclopropyl-N-(3-fluorophenyl)-3-(2-methylpropyl)-2-oxo-148-triazaspiro[4.5]decane-8-carboxamide

SMILES

CC(C)CC1NC(CC2)(CCN2C(Nc2cccc(F)c2)=O)N(C2CC2)C1=O

InChI

InChI=1S/C21H29FN4O2/c1-14(2)12-18-19(27)26(17-6-7-17)21(24-18)8-10-25(11-9-21)20(28)23-16-5-3-4-15(22)13-16/h3-5,13-14,17-18,24H,6-12H2,1-2H3,(H,23,28)/t18-/m1/s1

InChI Key

YVAUALZUTNFXRA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19818003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-3.43

Polar Surface Area

53.693

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

V029-0685 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0685?
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What is the minimum amount of V029-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0685
  • 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 V029-0685 available by request