V025-6762 Screening compound: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propan-1-one

V025-6762 Screening compound: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propan-1-one
V025-6762 Screening compound: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6762
1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propan-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

V025-6762

Molecular Formula

C29H32N4O4S (C29 H32 N4 O4 S)

Compound Name

1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]propan-1-one

IUPAC name

1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-3-[4-(4-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propan-1-one

SMILES

CC(CN(CC1)C(CCN(CCc2c3ccs2)C3c2ccc(C)cc2)=O)N1C(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C29H32N4O4S/c1-20-6-8-22(9-7-20)28-25-12-17-38-26(25)10-13-30(28)14-11-27(34)31-15-16-32(21(2)19-31)29(35)23-4-3-5-24(18-23)33(36)37/h3-9,12,17-18,21,28H,10-11,13-16,19H2,1-2H3

InChI Key

UQVKHRXQIAESIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939772

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-4.43

Polar Surface Area

69.557

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

V025-6762 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 V025-6762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6762?
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What is the minimum amount of V025-6762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6762
  • 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 V025-6762 available by request