G917-0221 Screening compound: methyl 6-bromo-4-(4-isopropylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

G917-0221 Screening compound: methyl 6-bromo-4-(4-isopropylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
G917-0221 Screening compound: methyl 6-bromo-4-(4-isopropylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G917-0221
methyl 6-bromo-4-(4-isopropylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

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

G917-0221

Molecular Formula

C19H18BrNO4S (C19 H18 BrNO4 S)

Compound Name

methyl 6-bromo-4-(4-isopropylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

IUPAC name

methyl 6-bromo-11-dioxo-4-[4-(propan-2-yl)phenyl]-4H-1lambda64-benzothiazine-2-carboxylate

SMILES

CC(C)c(cc1)ccc1N(C=C1C(OC)=O)c(cc(cc2)Br)c2S1(=O)=O

InChI

InChI=1S/C19H18BrNO4S/c1-12(2)13-4-7-15(8-5-13)21-11-18(19(22)25-3)26(23,24)17-9-6-14(20)10-16(17)21/h4-12H,1-3H3

InChI Key

ASDKMDFIDFXHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27167982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.36

Polar Surface Area

52.124

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G917-0221 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with G917-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G917-0221?
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What is the minimum amount of G917-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G917-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G917-0221
  • 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 G917-0221 available by request