V004-3712 Screening compound: N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]decanamide

V004-3712 Screening compound: N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]decanamide
V004-3712 Screening compound: N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]decanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3712
N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]decanamide

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

V004-3712

Molecular Formula

C31H41ClN4O4S (C31 H41 ClN4 O4 S)

Compound Name

N-(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]decanamide

IUPAC name

N-(2-{[5-(4-chlorophenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)-N-[2-(34-dimethoxyphenyl)ethyl]decanamide

SMILES

CCCCCCCCCC(N(CCC(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)CCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C31H41ClN4O4S/c1-4-5-6-7-8-9-10-11-29(38)36(20-18-23-12-17-26(39-2)27(22-23)40-3)21-19-28(37)33-31-35-34-30(41-31)24-13-15-25(32)16-14-24/h12-17,22H,4-11,18-21H2,1-3H3,(H,33,35,37)

InChI Key

SKHFAWZAEPKGBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19721357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.259

Distribution Coefficient, logD

7.259

Water Solubility, LogSw

-6.37

Polar Surface Area

77.562

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

V004-3712 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V004-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3712?
Check Price and Availability of V004-3712, 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 V004-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3712
  • 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 V004-3712 available by request