E667-1202 Screening compound: methyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamido}benzoate

E667-1202 Screening compound: methyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamido}benzoate
E667-1202 Screening compound: methyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1202
methyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-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

E667-1202

Molecular Formula

C20H20N2O7S (C20 H20 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc(cc1)ccc1C(OC)=O)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H20N2O7S/c1-12(9-18(23)21-14-5-3-13(4-6-14)20(25)28-2)30(26,27)15-7-8-17-16(10-15)22-19(24)11-29-17/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1

InChI Key

QEAVQXFPEIDBMA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14909094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

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

1.639

Distribution Coefficient, logD

1.638

Water Solubility, LogSw

-2.55

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

25.00

References: we are preparing a list of scientific research reports with E667-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1202?
Check Price and Availability of E667-1202, 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 E667-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1202
  • 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 E667-1202 available by request