8018-1064 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-4-{[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

8018-1064 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-4-{[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide
8018-1064 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-4-{[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1064
N-(5-methyl-1,2-oxazol-3-yl)-4-{[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

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

8018-1064

Molecular Formula

C18H16N4O4S2 (C18 H16 N4 O4 S2)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-4-{[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-4-{[4-(5-methylfuran-2-yl)-13-thiazol-2-yl]amino}benzene-1-sulfonamide

SMILES

Cc1ccc(-c2csc(Nc(cc3)ccc3S(Nc3noc(C)c3)(=O)=O)n2)o1

InChI

InChI=1S/C18H16N4O4S2/c1-11-3-8-16(25-11)15-10-27-18(20-15)19-13-4-6-14(7-5-13)28(23,24)22-17-9-12(2)26-21-17/h3-10H,1-2H3,(H,19,20)(H,21,22)

InChI Key

BWSPXRDQMPDHJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-4.44

Polar Surface Area

89.463

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8018-1064 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1064?
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What is the minimum amount of 8018-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1064
  • 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 8018-1064 available by request