V013-4378 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-propylbutanamide

V013-4378 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-propylbutanamide
V013-4378 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4378
N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-propylbutanamide

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

V013-4378

Molecular Formula

C24H31FN2O3S (C24 H31 FN2 O3 S)

Compound Name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-propylbutanamide

IUPAC name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-propylbutanamide

SMILES

CCCN(CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)C(CC(C)C)=O

InChI

InChI=1S/C24H31FN2O3S/c1-4-11-26(23(28)14-17(2)3)15-24(29)27-12-9-22-18(10-13-31-22)20(27)16-30-21-8-6-5-7-19(21)25/h5-8,10,13,17,20H,4,9,11-12,14-16H2,1-3H3/t20-/m0/s1

InChI Key

JJPRZTOGQCOLIS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19866617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-4.51

Polar Surface Area

40.095

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V013-4378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4378?
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What is the minimum amount of V013-4378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4378
  • 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 V013-4378 available by request