V013-1161 Screening compound: 2-{4-[(3-fluorobenzyl)(2-methoxyacetyl)amino]phenyl}-N~1~-(2-methoxyethyl)acetamide

V013-1161 Screening compound: 2-{4-[(3-fluorobenzyl)(2-methoxyacetyl)amino]phenyl}-N~1~-(2-methoxyethyl)acetamide
V013-1161 Screening compound: 2-{4-[(3-fluorobenzyl)(2-methoxyacetyl)amino]phenyl}-N~1~-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1161
2-{4-[(3-fluorobenzyl)(2-methoxyacetyl)amino]phenyl}-N~1~-(2-methoxyethyl)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

V013-1161

Molecular Formula

C21H25FN2O4 (C21 H25 FN2 O4)

Compound Name

2-{4-[(3-fluorobenzyl)(2-methoxyacetyl)amino]phenyl}-N~1~-(2-methoxyethyl)acetamide

IUPAC name

n/a

SMILES

COCCNC(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(COC)=O)=O

InChI

InChI=1S/C21H25FN2O4/c1-27-11-10-23-20(25)13-16-6-8-19(9-7-16)24(21(26)15-28-2)14-17-4-3-5-18(22)12-17/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,25)

InChI Key

KBOAORCZGUJALX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19979505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.22

Polar Surface Area

56.413

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V013-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1161?
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What is the minimum amount of V013-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1161
  • 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 V013-1161 available by request