V013-1087 Screening compound: 3-[N-cyclohexyl-1-(2,4-dimethoxyphenyl)formamido]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

V013-1087 Screening compound: 3-[N-cyclohexyl-1-(2,4-dimethoxyphenyl)formamido]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
V013-1087 Screening compound: 3-[N-cyclohexyl-1-(2,4-dimethoxyphenyl)formamido]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1087
3-[N-cyclohexyl-1-(2,4-dimethoxyphenyl)formamido]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

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

V013-1087

Molecular Formula

C27H32N4O4S (C27 H32 N4 O4 S)

Compound Name

3-[N-cyclohexyl-1-(2,4-dimethoxyphenyl)formamido]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[N-cyclohexyl-1-(24-dimethoxyphenyl)formamido]-N-[5-(4-methylphenyl)-134-thiadiazol-2-yl]propanamide

SMILES

Cc(cc1)ccc1-c1nnc(NC(CCN(C2CCCCC2)C(c(ccc(OC)c2)c2OC)=O)=O)s1

InChI

InChI=1S/C27H32N4O4S/c1-18-9-11-19(12-10-18)25-29-30-27(36-25)28-24(32)15-16-31(20-7-5-4-6-8-20)26(33)22-14-13-21(34-2)17-23(22)35-3/h9-14,17,20H,4-8,15-16H2,1-3H3,(H,28,30,32)

InChI Key

GJFWIYSGHVKOOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19716631

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

5.647

Water Solubility, LogSw

-5.29

Polar Surface Area

76.998

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V013-1087 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1087?
Check Price and Availability of V013-1087, 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 V013-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1087
  • 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 V013-1087 available by request