V025-6768 Screening compound: 2-ethyl-1-(4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methylpiperazin-1-yl)hexan-1-one

V025-6768 Screening compound: 2-ethyl-1-(4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methylpiperazin-1-yl)hexan-1-one
V025-6768 Screening compound: 2-ethyl-1-(4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methylpiperazin-1-yl)hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6768
2-ethyl-1-(4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methylpiperazin-1-yl)hexan-1-one

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

V025-6768

Molecular Formula

C29H40FN3O2S (C29 H40 FN3 O2 S)

Compound Name

2-ethyl-1-(4-{3-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propanoyl}-2-methylpiperazin-1-yl)hexan-1-one

IUPAC name

2-ethyl-1-(4-{3-[4-(3-fluorophenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propanoyl}-2-methylpiperazin-1-yl)hexan-1-one

SMILES

CCCCC(CC)C(N(CC1)C(C)CN1C(CCN(CCc1c2ccs1)C2c1cc(F)ccc1)=O)=O

InChI

InChI=1S/C29H40FN3O2S/c1-4-6-8-22(5-2)29(35)33-17-16-32(20-21(33)3)27(34)12-15-31-14-11-26-25(13-18-36-26)28(31)23-9-7-10-24(30)19-23/h7,9-10,13,18-19,21-22,28H,4-6,8,11-12,14-17,20H2,1-3H3

InChI Key

KVPAGDBGALSPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939978

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.37

Polar Surface Area

36.447

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.60

V025-6768 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V025-6768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6768?
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What is the minimum amount of V025-6768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6768
  • 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 V025-6768 available by request