V003-5294 Screening compound: N~1~-(2-{(4-fluorobenzyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-N~1~-(tetrahydro-2-furanylmethyl)dodecanamide

V003-5294 Screening compound: N~1~-(2-{(4-fluorobenzyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-N~1~-(tetrahydro-2-furanylmethyl)dodecanamide
V003-5294 Screening compound: N~1~-(2-{(4-fluorobenzyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-N~1~-(tetrahydro-2-furanylmethyl)dodecanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5294
N~1~-(2-{(4-fluorobenzyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-N~1~-(tetrahydro-2-furanylmethyl)dodecanamide

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

V003-5294

Molecular Formula

C32H47FN2O4 (C32 H47 FN2 O4)

Compound Name

N~1~-(2-{(4-fluorobenzyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-N~1~-(tetrahydro-2-furanylmethyl)dodecanamide

IUPAC name

N-({[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]carbamoyl}methyl)-N-[(oxolan-2-yl)methyl]dodecanamide

SMILES

CCCCCCCCCCCC(N(CC1OCCC1)CC(N(Cc1ccc(C)o1)Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C32H47FN2O4/c1-3-4-5-6-7-8-9-10-11-14-31(36)35(23-29-13-12-21-38-29)25-32(37)34(24-30-20-15-26(2)39-30)22-27-16-18-28(33)19-17-27/h15-20,29H,3-14,21-25H2,1-2H3/t29-/m1/s1

InChI Key

QVABEKFNFGSNES-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19742823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.962

Distribution Coefficient, logD

6.962

Water Solubility, LogSw

-5.66

Polar Surface Area

47.523

Acid Dissociation Constant (pKa)

23.43

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with V003-5294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5294?
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What is the minimum amount of V003-5294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5294
  • 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 V003-5294 available by request