V025-3316 Screening compound: 4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

V025-3316 Screening compound: 4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide
V025-3316 Screening compound: 4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3316
4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methyl-N-(4-methylphenyl)piperazine-1-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

V025-3316

Molecular Formula

C29H33FN4O2S (C29 H33 FN4 O2 S)

Compound Name

4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

IUPAC name

4-{3-[4-(3-fluorophenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propanoyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

SMILES

CC(CN(CC1)C(CCN(CCc2c3ccs2)C3c2cc(F)ccc2)=O)N1C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C29H33FN4O2S/c1-20-6-8-24(9-7-20)31-29(36)34-16-15-33(19-21(34)2)27(35)11-14-32-13-10-26-25(12-17-37-26)28(32)22-4-3-5-23(30)18-22/h3-9,12,17-18,21,28H,10-11,13-16,19H2,1-2H3,(H,31,36)

InChI Key

QFHVEBHURJSVJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19940011

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.57

Polar Surface Area

44.996

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

V025-3316 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V025-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3316?
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What is the minimum amount of V025-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3316
  • 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 V025-3316 available by request