V001-6558 Screening compound: 2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one

V001-6558 Screening compound: 2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one
V001-6558 Screening compound: 2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6558
2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-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

V001-6558

Molecular Formula

C29H30F3N3O2S (C29 H30 F3 N3 O2 S)

Compound Name

2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one

IUPAC name

2-[4-(2-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-14-diazepan-1-yl}ethan-1-one

SMILES

Cc1c(C2N(CC(N(CCC3)CCN3C(c3ccc(C(F)(F)F)cc3)=O)=O)CCc3c2ccs3)cccc1

InChI

InChI=1S/C29H30F3N3O2S/c1-20-5-2-3-6-23(20)27-24-12-18-38-25(24)11-15-35(27)19-26(36)33-13-4-14-34(17-16-33)28(37)21-7-9-22(10-8-21)29(30,31)32/h2-3,5-10,12,18,27H,4,11,13-17,19H2,1H3/t27-/m1/s1

InChI Key

AZLYJDYZRYKWNF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19935709

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.037

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.54

Polar Surface Area

37.309

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V001-6558 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V001-6558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6558?
Check Price and Availability of V001-6558, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-6558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6558
  • 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 V001-6558 available by request