V027-5636 Screening compound: N-(cyclopropylmethyl)-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

V027-5636 Screening compound: N-(cyclopropylmethyl)-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
V027-5636 Screening compound: N-(cyclopropylmethyl)-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5636
N-(cyclopropylmethyl)-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]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

V027-5636

Molecular Formula

C29H32F3N5OS (C29 H32 F3 N5 OS)

Compound Name

N-(cyclopropylmethyl)-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

IUPAC name

N-(cyclopropylmethyl)-3-{[(45-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

SMILES

Cc(c(C)n1)c(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)nc1SCc1cc(C(NCC2CC2)=O)ccc1

InChI

InChI=1S/C29H32F3N5OS/c1-19-20(2)34-28(39-18-22-5-3-6-23(15-22)27(38)33-17-21-9-10-21)35-26(19)37-13-11-36(12-14-37)25-8-4-7-24(16-25)29(30,31)32/h3-8,15-16,21H,9-14,17-18H2,1-2H3,(H,33,38)

InChI Key

VYMVIOYFRFIUEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19825955

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.340

Distribution Coefficient, logD

6.339

Water Solubility, LogSw

-5.67

Polar Surface Area

49.419

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V027-5636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5636?
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What is the minimum amount of V027-5636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5636
  • 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 V027-5636 available by request