V026-7398 Screening compound: 3-(2-chloro-2-phenyl-N-propylacetamido)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

V026-7398 Screening compound: 3-(2-chloro-2-phenyl-N-propylacetamido)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
V026-7398 Screening compound: 3-(2-chloro-2-phenyl-N-propylacetamido)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7398
3-(2-chloro-2-phenyl-N-propylacetamido)-N-[5-(4-chlorophenyl)-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

V026-7398

Molecular Formula

C22H22Cl2N4O2S (C22 H22 Cl2 N4 O2 S)

Compound Name

3-(2-chloro-2-phenyl-N-propylacetamido)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-(2-chloro-2-phenyl-N-propylacetamido)-N-[5-(4-chlorophenyl)-134-thiadiazol-2-yl]propanamide

SMILES

CCCN(CCC(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)C(C(c1ccccc1)Cl)=O

InChI

InChI=1S/C22H22Cl2N4O2S/c1-2-13-28(21(30)19(24)15-6-4-3-5-7-15)14-12-18(29)25-22-27-26-20(31-22)16-8-10-17(23)11-9-16/h3-11,19H,2,12-14H2,1H3,(H,25,27,29)/t19-/m1/s1

InChI Key

IVTVANVQRVYQRV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19716265

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.74

Polar Surface Area

62.829

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V026-7398 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-7398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7398?
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What is the minimum amount of V026-7398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7398
  • 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 V026-7398 available by request