V003-9662 Screening compound: 2-[N-tert-butyl-1-(2,4-dichlorophenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V003-9662 Screening compound: 2-[N-tert-butyl-1-(2,4-dichlorophenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V003-9662 Screening compound: 2-[N-tert-butyl-1-(2,4-dichlorophenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9662
2-[N-tert-butyl-1-(2,4-dichlorophenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]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

V003-9662

Molecular Formula

C26H27Cl2FN2O2S (C26 H27 Cl2 FN2 O2 S)

Compound Name

2-[N-tert-butyl-1-(2,4-dichlorophenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-[N-tert-butyl-1-(24-dichlorophenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CC(C)(C)N(CC(N(Cc1ccc(C)s1)Cc(cc1)ccc1F)=O)C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C26H27Cl2FN2O2S/c1-17-5-11-21(34-17)15-30(14-18-6-9-20(29)10-7-18)24(32)16-31(26(2,3)4)25(33)22-12-8-19(27)13-23(22)28/h5-13H,14-16H2,1-4H3

InChI Key

LYAXXHSOSMOTHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19761803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.206

Water Solubility, LogSw

-6.14

Polar Surface Area

33.258

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V003-9662 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V003-9662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9662?
Check Price and Availability of V003-9662, 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 V003-9662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9662
  • 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 V003-9662 available by request