D072-0030 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine

D072-0030 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
D072-0030 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0030
4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-N,N-dimethyl-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

D072-0030

Molecular Formula

C17H14ClFN2O3S (C17 H14 ClFN2 O3 S)

Compound Name

4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine

IUPAC name

4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-NN-dimethyl-13-oxazol-5-amine

SMILES

CN(C)c(oc(-c(cc1)ccc1F)n1)c1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C17H14ClFN2O3S/c1-21(2)17-16(25(22,23)14-9-5-12(18)6-10-14)20-15(24-17)11-3-7-13(19)8-4-11/h3-10H,1-2H3

InChI Key

OQKLBOWJMGKIDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01124807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.58

Polar Surface Area

50.831

Acid Dissociation Constant (pKa)

29.83

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D072-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D072-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0030?
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What is the minimum amount of D072-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0030
  • 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 D072-0030 available by request