V016-6386 Screening compound: 2-{[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide

V016-6386 Screening compound: 2-{[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide
V016-6386 Screening compound: 2-{[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6386
2-{[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide

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

V016-6386

Molecular Formula

C32H40ClN5O2S (C32 H40 ClN5 O2 S)

Compound Name

2-{[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide

IUPAC name

2-{[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(diphenylmethyl)acetamide

SMILES

CCCCCCCC(N(CC1)C(C)CN1c1cc(Cl)nc(SCC(NC(c2ccccc2)c2ccccc2)=O)n1)=O

InChI

InChI=1S/C32H40ClN5O2S/c1-3-4-5-6-13-18-30(40)38-20-19-37(22-24(38)2)28-21-27(33)34-32(35-28)41-23-29(39)36-31(25-14-9-7-10-15-25)26-16-11-8-12-17-26/h7-12,14-17,21,24,31H,3-6,13,18-20,22-23H2,1-2H3,(H,36,39)/t24-/m0/s1

InChI Key

XCMXETRLJZTQTO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14242511

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.279

Distribution Coefficient, logD

7.278

Water Solubility, LogSw

-6.16

Polar Surface Area

59.014

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

V016-6386 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 V016-6386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6386?
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What is the minimum amount of V016-6386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6386
  • 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 V016-6386 available by request