V021-0755 Screening compound: N~1~-{2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-4-methyl-N~1~-(2-methylbutyl)benzamide

V021-0755 Screening compound: N~1~-{2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-4-methyl-N~1~-(2-methylbutyl)benzamide
V021-0755 Screening compound: N~1~-{2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-4-methyl-N~1~-(2-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0755
N~1~-{2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-4-methyl-N~1~-(2-methylbutyl)benzamide

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

V021-0755

Molecular Formula

C29H33FN2O3S (C29 H33 FN2 O3 S)

Compound Name

N~1~-{2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-4-methyl-N~1~-(2-methylbutyl)benzamide

IUPAC name

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

SMILES

CCC(C)CN(CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C29H33FN2O3S/c1-4-20(2)17-31(29(34)22-10-8-21(3)9-11-22)18-28(33)32-14-12-27-25(13-15-36-27)26(32)19-35-24-7-5-6-23(30)16-24/h5-11,13,15-16,20,26H,4,12,14,17-19H2,1-3H3

InChI Key

RGKRINPUUHJLHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19866861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.66

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

6.290

Distribution Coefficient, logD

6.290

Water Solubility, LogSw

-5.54

Polar Surface Area

40.286

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V021-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V021-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0755
  • 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 V021-0755 available by request