V027-5236 Screening compound: 5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]furan-2-carboxamide

V027-5236 Screening compound: 5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]furan-2-carboxamide
V027-5236 Screening compound: 5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5236
5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]furan-2-carboxamide

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

V027-5236

Molecular Formula

C27H35N5O2S (C27 H35 N5 O2 S)

Compound Name

5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]furan-2-carboxamide

IUPAC name

5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]furan-2-carboxamide

SMILES

CC(C)(C)c1nc(SCc2ccc(C(NCc3cnccc3)=O)o2)nc(N(C)C2CCCCC2)c1

InChI

InChI=1S/C27H35N5O2S/c1-27(2,3)23-15-24(32(4)20-10-6-5-7-11-20)31-26(30-23)35-18-21-12-13-22(34-21)25(33)29-17-19-9-8-14-28-16-19/h8-9,12-16,20H,5-7,10-11,17-18H2,1-4H3,(H,29,33)

InChI Key

RXKSISGMSSSVGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818712

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-4.97

Polar Surface Area

60.502

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

V027-5236 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V027-5236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5236?
Check Price and Availability of V027-5236, 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 V027-5236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5236
  • 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 V027-5236 available by request