V010-3299 Screening compound: ethyl 2-(3,4-difluorobenzamido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

V010-3299 Screening compound: ethyl 2-(3,4-difluorobenzamido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate
V010-3299 Screening compound: ethyl 2-(3,4-difluorobenzamido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3299
ethyl 2-(3,4-difluorobenzamido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

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

V010-3299

Molecular Formula

C21H25F2NO3S (C21 H25 F2 NO3 S)

Compound Name

ethyl 2-(3,4-difluorobenzamido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

IUPAC name

ethyl 2-(34-difluorobenzamido)-5-(44-dimethylpentan-2-yl)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc(F)c2F)=O)sc(C(C)CC(C)(C)C)c1)=O

InChI

InChI=1S/C21H25F2NO3S/c1-6-27-20(26)14-10-17(12(2)11-21(3,4)5)28-19(14)24-18(25)13-7-8-15(22)16(23)9-13/h7-10,12H,6,11H2,1-5H3,(H,24,25)/t12-/m0/s1

InChI Key

MAQKWDRIAVQXGC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19957154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.087

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-5.49

Polar Surface Area

43.878

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V010-3299 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V010-3299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3299?
Check Price and Availability of V010-3299, 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 V010-3299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3299
  • 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 V010-3299 available by request