G582-3029 Screening compound: 2-(azepane-1-carbonyl)-N-(4-fluorophenyl)quinazolin-4-amine

G582-3029 Screening compound: 2-(azepane-1-carbonyl)-N-(4-fluorophenyl)quinazolin-4-amine
G582-3029 Screening compound: 2-(azepane-1-carbonyl)-N-(4-fluorophenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G582-3029
2-(azepane-1-carbonyl)-N-(4-fluorophenyl)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

G582-3029

Molecular Formula

C21H21FN4O (C21 H21 FN4 O)

Compound Name

2-(azepane-1-carbonyl)-N-(4-fluorophenyl)quinazolin-4-amine

IUPAC name

2-(azepane-1-carbonyl)-N-(4-fluorophenyl)quinazolin-4-amine

SMILES

O=C(c1nc2ccccc2c(Nc(cc2)ccc2F)n1)N1CCCCCC1

InChI

InChI=1S/C21H21FN4O/c22-15-9-11-16(12-10-15)23-19-17-7-3-4-8-18(17)24-20(25-19)21(27)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-14H2,(H,23,24,25)

InChI Key

QENMGIQRLNUIMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.83

Polar Surface Area

45.056

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G582-3029 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G582-3029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G582-3029?
Check Price and Availability of G582-3029, 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 G582-3029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G582-3029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G582-3029
  • 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 G582-3029 available by request