D072-0029 Screening compound: 4-(4-fluorobenzenesulfonyl)-N,N-dimethyl-2-(4-methylphenyl)-1,3-oxazol-5-amine

D072-0029 Screening compound: 4-(4-fluorobenzenesulfonyl)-N,N-dimethyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
D072-0029 Screening compound: 4-(4-fluorobenzenesulfonyl)-N,N-dimethyl-2-(4-methylphenyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0029
4-(4-fluorobenzenesulfonyl)-N,N-dimethyl-2-(4-methylphenyl)-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

D072-0029

Molecular Formula

C18H17FN2O3S (C18 H17 FN2 O3 S)

Compound Name

4-(4-fluorobenzenesulfonyl)-N,N-dimethyl-2-(4-methylphenyl)-1,3-oxazol-5-amine

IUPAC name

4-(4-fluorobenzenesulfonyl)-NN-dimethyl-2-(4-methylphenyl)-13-oxazol-5-amine

SMILES

Cc(cc1)ccc1-c1nc(S(c(cc2)ccc2F)(=O)=O)c(N(C)C)o1

InChI

InChI=1S/C18H17FN2O3S/c1-12-4-6-13(7-5-12)16-20-17(18(24-16)21(2)3)25(22,23)15-10-8-14(19)9-11-15/h4-11H,1-3H3

InChI Key

UVFHIKPSHOJNCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04572226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

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

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.01

Polar Surface Area

50.831

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D072-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 D072-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0029?
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What is the minimum amount of D072-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0029
  • 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 D072-0029 available by request