V025-6534 Screening compound: 3-{cyclohexyl[2-(furan-2-yl)quinazolin-4-yl]amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V025-6534 Screening compound: 3-{cyclohexyl[2-(furan-2-yl)quinazolin-4-yl]amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V025-6534 Screening compound: 3-{cyclohexyl[2-(furan-2-yl)quinazolin-4-yl]amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6534
3-{cyclohexyl[2-(furan-2-yl)quinazolin-4-yl]amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

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

V025-6534

Molecular Formula

C29H29F3N4O2 (C29 H29 F3 N4 O2)

Compound Name

3-{cyclohexyl[2-(furan-2-yl)quinazolin-4-yl]amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-{cyclohexyl[2-(furan-2-yl)quinazolin-4-yl]amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

O=C(CCN(C1CCCCC1)c1nc(-c2ccco2)nc2ccccc12)NCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C29H29F3N4O2/c30-29(31,32)21-9-6-8-20(18-21)19-33-26(37)15-16-36(22-10-2-1-3-11-22)28-23-12-4-5-13-24(23)34-27(35-28)25-14-7-17-38-25/h4-9,12-14,17-18,22H,1-3,10-11,15-16,19H2,(H,33,37)

InChI Key

FECZCABORBUDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787987

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.57

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

6.715

Distribution Coefficient, logD

6.708

Water Solubility, LogSw

-6.47

Polar Surface Area

53.203

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

V025-6534 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V025-6534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6534?
Check Price and Availability of V025-6534, 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 V025-6534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6534
  • 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 V025-6534 available by request