V013-4360 Screening compound: N-cyclopropyl-2-methoxy-N-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)acetamide

V013-4360 Screening compound: N-cyclopropyl-2-methoxy-N-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)acetamide
V013-4360 Screening compound: N-cyclopropyl-2-methoxy-N-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4360
N-cyclopropyl-2-methoxy-N-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)acetamide

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

V013-4360

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

N-cyclopropyl-2-methoxy-N-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)acetamide

IUPAC name

N-cyclopropyl-2-methoxy-N-(2-{4-[(4-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)acetamide

SMILES

Cc(cc1)ccc1OCC(c1c(CC2)scc1)N2C(CN(C1CC1)C(COC)=O)=O

InChI

InChI=1S/C23H28N2O4S/c1-16-3-7-18(8-4-16)29-14-20-19-10-12-30-21(19)9-11-24(20)22(26)13-25(17-5-6-17)23(27)15-28-2/h3-4,7-8,10,12,17,20H,5-6,9,11,13-15H2,1-2H3/t20-/m0/s1

InChI Key

RADACLAKYSSHGI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19866375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.45

Polar Surface Area

47.758

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

V013-4360 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 V013-4360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4360?
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What is the minimum amount of V013-4360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4360
  • 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 V013-4360 available by request