D072-0540 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-amine

D072-0540 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-amine
D072-0540 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0540
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-amine

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

D072-0540

Molecular Formula

C26H26N2O5S (C26 H26 N2 O5 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-(4-methylbenzenesulfonyl)-2-phenyl-13-oxazol-5-amine

SMILES

Cc(cc1)ccc1S(c1c(NCCc(cc2)cc(OC)c2OC)oc(-c2ccccc2)n1)(=O)=O

InChI

InChI=1S/C26H26N2O5S/c1-18-9-12-21(13-10-18)34(29,30)26-25(33-24(28-26)20-7-5-4-6-8-20)27-16-15-19-11-14-22(31-2)23(17-19)32-3/h4-14,17,27H,15-16H2,1-3H3

InChI Key

RJYOLYDYJFYRPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04490874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.41

Polar Surface Area

73.104

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

-6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D072-0540 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 D072-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0540?
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What is the minimum amount of D072-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0540
  • 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 D072-0540 available by request