G071-0253 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0253 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0253 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[6-(3-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 G071-0253
N~1~-(2,4-difluorophenyl)-2-{[6-(3-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

G071-0253

Molecular Formula

C25H17F3N4O3S2 (C25 H17 F3 N4 O3 S2)

Compound Name

N~1~-(2,4-difluorophenyl)-2-{[6-(3-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-[(3-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)c2N2Cc3cc(F)ccc3)c1S2(=O)=O)Nc(ccc(F)c1)c1F

InChI

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

InChI Key

XXPVQVSHCLMIKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979156

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

4.432

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-4.33

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

G071-0253 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G071-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0253?
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What is the minimum amount of G071-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0253
  • 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 G071-0253 available by request