V016-5645 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3,5-dichlorophenyl)formamido]-3-methylpentanamide

V016-5645 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3,5-dichlorophenyl)formamido]-3-methylpentanamide
V016-5645 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3,5-dichlorophenyl)formamido]-3-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5645
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3,5-dichlorophenyl)formamido]-3-methylpentanamide

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

V016-5645

Molecular Formula

C21H19Cl3N4O2S (C21 H19 Cl3 N4 O2 S)

Compound Name

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3,5-dichlorophenyl)formamido]-3-methylpentanamide

IUPAC name

N-[5-(4-chlorophenyl)-134-thiadiazol-2-yl]-2-[(35-dichlorophenyl)formamido]-3-methylpentanamide

SMILES

CCC(C)C(C(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)NC(c1cc(Cl)cc(Cl)c1)=O

InChI

InChI=1S/C21H19Cl3N4O2S/c1-3-11(2)17(25-18(29)13-8-15(23)10-16(24)9-13)19(30)26-21-28-27-20(31-21)12-4-6-14(22)7-5-12/h4-11,17H,3H2,1-2H3,(H,25,29)(H,26,28,30)

InChI Key

ADGGQEZIZZHLIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14241936

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.943

Distribution Coefficient, logD

6.942

Water Solubility, LogSw

-6.44

Polar Surface Area

70.640

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

V016-5645 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 V016-5645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5645?
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What is the minimum amount of V016-5645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5645
  • 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 V016-5645 available by request