V025-3245 Screening compound: 2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}ethan-1-one

V025-3245 Screening compound: 2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}ethan-1-one
V025-3245 Screening compound: 2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3245
2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[2-(4-methoxyphenyl)acetyl]-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

V025-3245

Molecular Formula

C29H32FN3O3S (C29 H32 FN3 O3 S)

Compound Name

2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-1-{4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}ethan-1-one

IUPAC name

2-[4-(3-fluorophenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]-1-{4-[2-(4-methoxyphenyl)acetyl]-14-diazepan-1-yl}ethan-1-one

SMILES

COc1ccc(CC(N(CCC2)CCN2C(CN(CCc2c3ccs2)C3c2cc(F)ccc2)=O)=O)cc1

InChI

InChI=1S/C29H32FN3O3S/c1-36-24-8-6-21(7-9-24)18-27(34)31-12-3-13-32(16-15-31)28(35)20-33-14-10-26-25(11-17-37-26)29(33)22-4-2-5-23(30)19-22/h2,4-9,11,17,19,29H,3,10,12-16,18,20H2,1H3/t29-/m1/s1

InChI Key

WJIXZFTUUVMGKC-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19935772

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.31

Polar Surface Area

44.326

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V025-3245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3245?
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What is the minimum amount of V025-3245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3245
  • 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 V025-3245 available by request