8019-6722 Screening compound: 4-({[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}methyl)benzoic acid

8019-6722 Screening compound: 4-({[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}methyl)benzoic acid
8019-6722 Screening compound: 4-({[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6722
4-({[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}methyl)benzoic acid

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

8019-6722

Molecular Formula

C17H16N2O6S (C17 H16 N2 O6 S)

Compound Name

4-({[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}methyl)benzoic acid

IUPAC name

4-[(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)methyl]benzoic acid

SMILES

CC1Oc(ccc(S(NCc(cc2)ccc2C(O)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C17H16N2O6S/c1-10-16(20)19-14-8-13(6-7-15(14)25-10)26(23,24)18-9-11-2-4-12(5-3-11)17(21)22/h2-8,10,18H,9H2,1H3,(H,19,20)(H,21,22)/t10-/m1/s1

InChI Key

IQXKQPKKLBXNTB-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

-0.922

Water Solubility, LogSw

-2.78

Polar Surface Area

103.013

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.65

8019-6722 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-6722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6722?
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What is the minimum amount of 8019-6722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6722
  • 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 8019-6722 available by request