V022-0653 Screening compound: N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopentanecarboxamide

V022-0653 Screening compound: N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopentanecarboxamide
V022-0653 Screening compound: N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0653
N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopentanecarboxamide

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

V022-0653

Molecular Formula

C30H42N2O3S (C30 H42 N2 O3 S)

Compound Name

N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopentanecarboxamide

IUPAC name

N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]cyclopentanecarboxamide

SMILES

CC(C)CCN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(C1CCCC1)=O

InChI

InChI=1S/C30H42N2O3S/c1-21(2)13-16-31(30(34)24-7-5-6-8-24)19-29(33)32-17-14-28-26(15-18-36-28)27(32)20-35-25-11-9-23(10-12-25)22(3)4/h9-12,15,18,21-22,24,27H,5-8,13-14,16-17,19-20H2,1-4H3/t27-/m0/s1

InChI Key

VIANCLHTMOVIKJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19865561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.162

Distribution Coefficient, logD

7.162

Water Solubility, LogSw

-5.64

Polar Surface Area

40.823

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with V022-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0653
  • 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 V022-0653 available by request