V012-0263 Screening compound: N-(5-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)CYCLOHEXANECARBOXAMIDE

V012-0263 Screening compound: N-(5-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)CYCLOHEXANECARBOXAMIDE
V012-0263 Screening compound: N-(5-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)CYCLOHEXANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0263
N-(5-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)CYCLOHEXANECARBOXAMIDE

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

V012-0263

Molecular Formula

C17H21N3OS2 (C17 H21 N3 OS2)

Compound Name

N-(5-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)CYCLOHEXANECARBOXAMIDE

IUPAC name

N-(5-{[(2-methylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)cyclohexanecarboxamide

SMILES

Cc1c(CSc2nnc(NC(C3CCCCC3)=O)s2)cccc1

InChI

InChI=1S/C17H21N3OS2/c1-12-7-5-6-10-14(12)11-22-17-20-19-16(23-17)18-15(21)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,19,21)

InChI Key

LUCMOMCAKPFBCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05933093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.472

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.23

Polar Surface Area

46.156

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with V012-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0263?
Check Price and Availability of V012-0263, 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 V012-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0263
  • 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 V012-0263 available by request