V001-6763 Screening compound: N-(butan-2-yl)-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide

V001-6763 Screening compound: N-(butan-2-yl)-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide
V001-6763 Screening compound: N-(butan-2-yl)-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6763
N-(butan-2-yl)-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide

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

V001-6763

Molecular Formula

C25H38N4O3S (C25 H38 N4 O3 S)

Compound Name

N-(butan-2-yl)-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide

IUPAC name

N-(butan-2-yl)-N-(2-{[5-(3-methoxyphenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)-355-trimethylhexanamide

SMILES

CCC(C)N(CCC(Nc1nnc(-c2cc(OC)ccc2)s1)=O)C(CC(C)CC(C)(C)C)=O

InChI

InChI=1S/C25H38N4O3S/c1-8-18(3)29(22(31)14-17(2)16-25(4,5)6)13-12-21(30)26-24-28-27-23(33-24)19-10-9-11-20(15-19)32-7/h9-11,15,17-18H,8,12-14,16H2,1-7H3,(H,26,28,30)

InChI Key

DIWJCIVHHWWAIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715279

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.995

Distribution Coefficient, logD

5.995

Water Solubility, LogSw

-5.45

Polar Surface Area

69.467

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

V001-6763 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 V001-6763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6763?
Check Price and Availability of V001-6763, 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 V001-6763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6763
  • 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 V001-6763 available by request