G582-2644 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(4-toluidino)-2-quinazolinecarboxamide

G582-2644 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(4-toluidino)-2-quinazolinecarboxamide
G582-2644 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(4-toluidino)-2-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G582-2644
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(4-toluidino)-2-quinazolinecarboxamide

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

G582-2644

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(4-toluidino)-2-quinazolinecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1Nc1nc(C(NC(CC2)CS2(=O)=O)=O)nc2ccccc12

InChI

InChI=1S/C20H20N4O3S/c1-13-6-8-14(9-7-13)21-18-16-4-2-3-5-17(16)23-19(24-18)20(25)22-15-10-11-28(26,27)12-15/h2-9,15H,10-12H2,1H3,(H,22,25)(H,21,23,24)/t15-/m1/s1

InChI Key

NSBALJAFBZMSNV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27144624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-3.36

Polar Surface Area

80.653

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G582-2644 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G582-2644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G582-2644?
Check Price and Availability of G582-2644, 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 G582-2644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G582-2644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G582-2644
  • 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 G582-2644 available by request