V027-6989 Screening compound: 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

V027-6989 Screening compound: 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
V027-6989 Screening compound: 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6989
3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)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

V027-6989

Molecular Formula

C27H40N4OS (C27 H40 N4 OS)

Compound Name

3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

IUPAC name

3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1cccc(CSc2nc(N(C)C3CCCCC3)cc(C(C)(C)C)n2)c1)=O

InChI

InChI=1S/C27H40N4OS/c1-19(2)17-28-25(32)21-12-10-11-20(15-21)18-33-26-29-23(27(3,4)5)16-24(30-26)31(6)22-13-8-7-9-14-22/h10-12,15-16,19,22H,7-9,13-14,17-18H2,1-6H3,(H,28,32)

InChI Key

CIJCGQCHYKHFPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831897

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.758

Distribution Coefficient, logD

6.757

Water Solubility, LogSw

-5.50

Polar Surface Area

43.415

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.30

V027-6989 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V027-6989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6989?
Check Price and Availability of V027-6989, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-6989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6989
  • 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 V027-6989 available by request