G071-0179 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0179 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0179 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0179
N~1~-(2,4-difluorophenyl)-2-{[6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

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

G071-0179

Molecular Formula

C25H17F3N4O3S2 (C25 H17 F3 N4 O3 S2)

Compound Name

N~1~-(2,4-difluorophenyl)-2-{[6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(24-difluorophenyl)-2-({9-[(4-fluorophenyl)methyl]-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc(nc1)nc(-c(cccc2)c2N2Cc(cc3)ccc3F)c1S2(=O)=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C25H17F3N4O3S2/c26-16-7-5-15(6-8-16)13-32-21-4-2-1-3-18(21)24-22(37(32,34)35)12-29-25(31-24)36-14-23(33)30-20-10-9-17(27)11-19(20)28/h1-12H,13-14H2,(H,30,33)

InChI Key

WARUUKHKIGUGOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.27

Polar Surface Area

71.618

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

G071-0179 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G071-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0179?
Check Price and Availability of G071-0179, 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 G071-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0179
  • 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 G071-0179 available by request