V029-5028 Screening compound: N-cyclopropyl-4-({[4-(1-methoxypropan-2-yl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-5028 Screening compound: N-cyclopropyl-4-({[4-(1-methoxypropan-2-yl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-5028 Screening compound: N-cyclopropyl-4-({[4-(1-methoxypropan-2-yl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5028
N-cyclopropyl-4-({[4-(1-methoxypropan-2-yl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V029-5028

Molecular Formula

C20H28N4O2S (C20 H28 N4 O2 S)

Compound Name

N-cyclopropyl-4-({[4-(1-methoxypropan-2-yl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-cyclopropyl-4-({[4-(1-methoxypropan-2-yl)-5-(propan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

CC(C)c(n1C(C)COC)nnc1SCc(cc1)ccc1C(NC1CC1)=O

InChI

InChI=1S/C20H28N4O2S/c1-13(2)18-22-23-20(24(18)14(3)11-26-4)27-12-15-5-7-16(8-6-15)19(25)21-17-9-10-17/h5-8,13-14,17H,9-12H2,1-4H3,(H,21,25)/t14-/m0/s1

InChI Key

VLIPBJULXDLLAF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27633166

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-2.67

Polar Surface Area

58.066

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

V029-5028 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-5028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5028?
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What is the minimum amount of V029-5028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5028
  • 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 V029-5028 available by request