E667-1407 Screening compound: methyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamido}benzoate

E667-1407 Screening compound: methyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamido}benzoate
E667-1407 Screening compound: methyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1407
methyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamido}benzoate

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

E667-1407

Molecular Formula

C21H22N2O7S (C21 H22 N2 O7 S)

Compound Name

methyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamido}benzoate

IUPAC name

methyl 4-{3-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]butanamido}benzoate

SMILES

CC(CC(Nc(cc1)ccc1C(OC)=O)=O)S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O

InChI

InChI=1S/C21H22N2O7S/c1-12-8-16-17(30-11-20(25)23-16)10-18(12)31(27,28)13(2)9-19(24)22-15-6-4-14(5-7-15)21(26)29-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,24)(H,23,25)/t13-/m0/s1

InChI Key

TWYBARDGVAGYPI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14909184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-2.73

Polar Surface Area

107.333

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E667-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1407?
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What is the minimum amount of E667-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1407
  • 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 E667-1407 available by request