A0061382 Screening compound: N-(4-FLUOROPHENYL)-4-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1234-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE

A0061382 Screening compound: N-(4-FLUOROPHENYL)-4-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1234-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE
A0061382 Screening compound: N-(4-FLUOROPHENYL)-4-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1234-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061382
N-(4-FLUOROPHENYL)-4-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1234-TETRAHYDROQUINAZOLINE-7-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

A0061382

Molecular Formula

C23H18FN3O2S (C23 H18 FN3 O2 S)

Compound Name

N-(4-FLUOROPHENYL)-4-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1234-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c(cc1)cc(NC(N2CCc3ccccc3)=S)c1C2=O)Nc(cc1)ccc1F

InChI

InChI=1S/C23H18FN3O2S/c24-17-7-9-18(10-8-17)25-21(28)16-6-11-19-20(14-16)26-23(30)27(22(19)29)13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)(H,26,30)

InChI Key

AOVAKHGPYGADQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.37

Polar Surface Area

50.387

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with A0061382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061382?
Check Price and Availability of A0061382, 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 A0061382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061382
  • 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 A0061382 available by request