V014-0938 Screening compound: N-cyclohexyl-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide

V014-0938 Screening compound: N-cyclohexyl-N-(2-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-3,5,5-trimethylhexanamide
V014-0938 Screening compound: N-cyclohexyl-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 V014-0938
N-cyclohexyl-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

V014-0938

Molecular Formula

C27H40N4O3S (C27 H40 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(C)(C)C)CC(N(CCC(Nc1nnc(-c2cc(OC)ccc2)s1)=O)C1CCCCC1)=O

InChI

InChI=1S/C27H40N4O3S/c1-19(18-27(2,3)4)16-24(33)31(21-11-7-6-8-12-21)15-14-23(32)28-26-30-29-25(35-26)20-10-9-13-22(17-20)34-5/h9-10,13,17,19,21H,6-8,11-12,14-16,18H2,1-5H3,(H,28,30,32)/t19-/m1/s1

InChI Key

ACGHZLNYQTZSPT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19715746

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.507

Distribution Coefficient, logD

6.506

Water Solubility, LogSw

-5.52

Polar Surface Area

69.112

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.00

V014-0938 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V014-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0938?
Check Price and Availability of V014-0938, 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 V014-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0938
  • 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 V014-0938 available by request