F874-0189 Screening compound: 3-methyl-6-({4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

F874-0189 Screening compound: 3-methyl-6-({4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
F874-0189 Screening compound: 3-methyl-6-({4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F874-0189
3-methyl-6-({4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-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

F874-0189

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

3-methyl-6-({4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-methyl-6-({4-[(5-methyl-13-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

Cc(cc1)cc2c1oc(CN(CC1)CCN1S(c(cc1)cc(O3)c1N(C)C3=O)(=O)=O)n2

InChI

InChI=1S/C21H22N4O5S/c1-14-3-6-18-16(11-14)22-20(29-18)13-24-7-9-25(10-8-24)31(27,28)15-4-5-17-19(12-15)30-21(26)23(17)2/h3-6,11-12H,7-10,13H2,1-2H3

InChI Key

SLNWAHUQQJZPJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-2.90

Polar Surface Area

75.103

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F874-0189 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 F874-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F874-0189?
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What is the minimum amount of F874-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F874-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F874-0189
  • 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 F874-0189 available by request