V012-3941 Screening compound: 3-{cyclohexyl[2-(thiophen-2-yl)quinazolin-4-yl]amino}-1-(pyrrolidin-1-yl)propan-1-one

V012-3941 Screening compound: 3-{cyclohexyl[2-(thiophen-2-yl)quinazolin-4-yl]amino}-1-(pyrrolidin-1-yl)propan-1-one
V012-3941 Screening compound: 3-{cyclohexyl[2-(thiophen-2-yl)quinazolin-4-yl]amino}-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3941
3-{cyclohexyl[2-(thiophen-2-yl)quinazolin-4-yl]amino}-1-(pyrrolidin-1-yl)propan-1-one

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

V012-3941

Molecular Formula

C25H30N4OS (C25 H30 N4 OS)

Compound Name

3-{cyclohexyl[2-(thiophen-2-yl)quinazolin-4-yl]amino}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-{cyclohexyl[2-(thiophen-2-yl)quinazolin-4-yl]amino}-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCN(C1CCCCC1)c1nc(-c2cccs2)nc2ccccc12)N1CCCC1

InChI

InChI=1S/C25H30N4OS/c30-23(28-15-6-7-16-28)14-17-29(19-9-2-1-3-10-19)25-20-11-4-5-12-21(20)26-24(27-25)22-13-8-18-31-22/h4-5,8,11-13,18-19H,1-3,6-7,9-10,14-17H2

InChI Key

SAISNNXNCMHBJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783111

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.898

Water Solubility, LogSw

-6.03

Polar Surface Area

37.930

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V012-3941 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-3941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3941?
Check Price and Availability of V012-3941, 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 V012-3941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3941
  • 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 V012-3941 available by request