V008-7054 Screening compound: N-(butan-2-yl)-2-(2-chlorophenyl)quinazolin-4-amine

V008-7054 Screening compound: N-(butan-2-yl)-2-(2-chlorophenyl)quinazolin-4-amine
V008-7054 Screening compound: N-(butan-2-yl)-2-(2-chlorophenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7054
N-(butan-2-yl)-2-(2-chlorophenyl)quinazolin-4-amine

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

V008-7054

Molecular Formula

C18H18ClN3 (C18 H18 ClN3)

Compound Name

N-(butan-2-yl)-2-(2-chlorophenyl)quinazolin-4-amine

IUPAC name

N-(butan-2-yl)-2-(2-chlorophenyl)quinazolin-4-amine

SMILES

CCC(C)Nc1nc(-c(cccc2)c2Cl)nc2ccccc12

InChI

InChI=1S/C18H18ClN3/c1-3-12(2)20-18-14-9-5-7-11-16(14)21-17(22-18)13-8-4-6-10-15(13)19/h4-12H,3H2,1-2H3,(H,20,21,22)/t12-/m0/s1

InChI Key

KPWJGGVUCIEPMB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02356729

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

311.81

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-5.05

Polar Surface Area

28.840

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V008-7054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V008-7054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7054?
Check Price and Availability of V008-7054, 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 V008-7054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7054
  • 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 V008-7054 available by request