E667-1377 Screening compound: 7-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

E667-1377 Screening compound: 7-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
E667-1377 Screening compound: 7-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1377
7-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

E667-1377

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

7-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

7-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CC(N(CC1)CCN1c(cc1)ccc1OC)=O)S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O

InChI

InChI=1S/C24H29N3O6S/c1-16-12-20-21(33-15-23(28)25-20)14-22(16)34(30,31)17(2)13-24(29)27-10-8-26(9-11-27)18-4-6-19(32-3)7-5-18/h4-7,12,14,17H,8-11,13,15H2,1-3H3,(H,25,28)/t17-/m0/s1

InChI Key

QNHHAVXTJKCSRC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14909173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.849

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-2.80

Polar Surface Area

90.206

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E667-1377 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E667-1377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1377?
Check Price and Availability of E667-1377, 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 E667-1377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1377
  • 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 E667-1377 available by request