V017-3196 Screening compound: N-(tert-butyl)-4-(4-chlorophenyl)-2-methyl-3-oxotetrahydro-1(2H)-pyrazinecarboxamide

V017-3196 Screening compound: N-(tert-butyl)-4-(4-chlorophenyl)-2-methyl-3-oxotetrahydro-1(2H)-pyrazinecarboxamide
V017-3196 Screening compound: N-(tert-butyl)-4-(4-chlorophenyl)-2-methyl-3-oxotetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3196
N-(tert-butyl)-4-(4-chlorophenyl)-2-methyl-3-oxotetrahydro-1(2H)-pyrazinecarboxamide

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

V017-3196

Molecular Formula

C16H22ClN3O2 (C16 H22 ClN3 O2)

Compound Name

N-(tert-butyl)-4-(4-chlorophenyl)-2-methyl-3-oxotetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-tert-butyl-4-(4-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

SMILES

CC(C(N(CC1)c(cc2)ccc2Cl)=O)N1C(NC(C)(C)C)=O

InChI

InChI=1S/C16H22ClN3O2/c1-11-14(21)20(13-7-5-12(17)6-8-13)10-9-19(11)15(22)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22)/t11-/m0/s1

InChI Key

SHGJSXIRURYSSC-NSHDSACASA-N

MDL Number (MFCD)

MFCD10457063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.47

Polar Surface Area

41.214

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V017-3196 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V017-3196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3196?
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What is the minimum amount of V017-3196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3196
  • 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 V017-3196 available by request