V001-8560 Screening compound: N-[4-(dimethylamino)-3-({N-[(4-fluorophenyl)methyl]4-fluorobenzenesulfonamido}methyl)phenyl]-3-methylbutanamide

V001-8560 Screening compound: N-[4-(dimethylamino)-3-({N-[(4-fluorophenyl)methyl]4-fluorobenzenesulfonamido}methyl)phenyl]-3-methylbutanamide
V001-8560 Screening compound: N-[4-(dimethylamino)-3-({N-[(4-fluorophenyl)methyl]4-fluorobenzenesulfonamido}methyl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8560
N-[4-(dimethylamino)-3-({N-[(4-fluorophenyl)methyl]4-fluorobenzenesulfonamido}methyl)phenyl]-3-methylbutanamide

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

V001-8560

Molecular Formula

C27H31F2N3O3S (C27 H31 F2 N3 O3 S)

Compound Name

N-[4-(dimethylamino)-3-({N-[(4-fluorophenyl)methyl]4-fluorobenzenesulfonamido}methyl)phenyl]-3-methylbutanamide

IUPAC name

N-[4-(dimethylamino)-3-({N-[(4-fluorophenyl)methyl]4-fluorobenzenesulfonamido}methyl)phenyl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)cc(CN(Cc(cc2)ccc2F)S(c(cc2)ccc2F)(=O)=O)c1N(C)C)=O

InChI

InChI=1S/C27H31F2N3O3S/c1-19(2)15-27(33)30-24-11-14-26(31(3)4)21(16-24)18-32(17-20-5-7-22(28)8-6-20)36(34,35)25-12-9-23(29)10-13-25/h5-14,16,19H,15,17-18H2,1-4H3,(H,30,33)

InChI Key

ZUPMYKZUYOPKLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19801099

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.668

Distribution Coefficient, logD

5.666

Water Solubility, LogSw

-5.39

Polar Surface Area

56.995

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V001-8560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8560?
Check Price and Availability of V001-8560, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-8560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8560
  • 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 V001-8560 available by request