V027-9950 Screening compound: 3,4-dichloro-N-[(1-{3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methyl]benzamide

V027-9950 Screening compound: 3,4-dichloro-N-[(1-{3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methyl]benzamide
V027-9950 Screening compound: 3,4-dichloro-N-[(1-{3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9950
3,4-dichloro-N-[(1-{3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methyl]benzamide

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

V027-9950

Molecular Formula

C22H21Cl3N4OS (C22 H21 Cl3 N4 OS)

Compound Name

3,4-dichloro-N-[(1-{3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methyl]benzamide

IUPAC name

34-dichloro-N-[(1-{3-[(4-chlorophenyl)methyl]-124-thiadiazol-5-yl}piperidin-4-yl)methyl]benzamide

SMILES

O=C(c(cc1)cc(Cl)c1Cl)NCC(CC1)CCN1c1nc(Cc(cc2)ccc2Cl)ns1

InChI

InChI=1S/C22H21Cl3N4OS/c23-17-4-1-14(2-5-17)11-20-27-22(31-28-20)29-9-7-15(8-10-29)13-26-21(30)16-3-6-18(24)19(25)12-16/h1-6,12,15H,7-11,13H2,(H,26,30)

InChI Key

AVVROVZUEKSFDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19753062

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.342

Distribution Coefficient, logD

6.342

Water Solubility, LogSw

-6.52

Polar Surface Area

49.456

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V027-9950 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-9950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9950?
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What is the minimum amount of V027-9950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9950
  • 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 V027-9950 available by request