D072-1577 Screening compound: 4-[2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

D072-1577 Screening compound: 4-[2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
D072-1577 Screening compound: 4-[2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-1577
4-[2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

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

D072-1577

Molecular Formula

C21H20ClFN2O4S (C21 H20 ClFN2 O4 S)

Compound Name

4-[2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

IUPAC name

4-[2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-13-oxazol-5-yl]-26-dimethylmorpholine

SMILES

CC(C1)OC(C)CN1c(oc(-c(cc1)ccc1Cl)n1)c1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C21H20ClFN2O4S/c1-13-11-25(12-14(2)28-13)21-20(30(26,27)18-9-7-17(23)8-10-18)24-19(29-21)15-3-5-16(22)6-4-15/h3-10,13-14H,11-12H2,1-2H3

InChI Key

IRSQVQHGCXZNOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04565136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.75

Polar Surface Area

58.411

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

-7.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

D072-1577 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D072-1577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-1577?
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What is the minimum amount of D072-1577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-1577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-1577
  • 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 D072-1577 available by request