8018-8948 Screening compound: ethyl 2-[(2-chlorophenyl)formamido]-3,3,3-trifluoro-2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}amino)propanoate

8018-8948 Screening compound: ethyl 2-[(2-chlorophenyl)formamido]-3,3,3-trifluoro-2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}amino)propanoate
8018-8948 Screening compound: ethyl 2-[(2-chlorophenyl)formamido]-3,3,3-trifluoro-2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8948
ethyl 2-[(2-chlorophenyl)formamido]-3,3,3-trifluoro-2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}amino)propanoate

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

8018-8948

Molecular Formula

C21H18ClF3N4O5S2 (C21 H18 ClF3 N4 O5 S2)

Compound Name

ethyl 2-[(2-chlorophenyl)formamido]-3,3,3-trifluoro-2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}amino)propanoate

IUPAC name

ethyl 2-[(2-chlorophenyl)formamido]-333-trifluoro-2-({4-[(13-thiazol-2-yl)sulfamoyl]phenyl}amino)propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(c(cccc1)c1Cl)=O)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O)=O

InChI

InChI=1S/C21H18ClF3N4O5S2/c1-2-34-18(31)20(21(23,24)25,28-17(30)15-5-3-4-6-16(15)22)27-13-7-9-14(10-8-13)36(32,33)29-19-26-11-12-35-19/h3-12,27H,2H2,1H3,(H,26,29)(H,28,30)/t20-/m0/s1

InChI Key

VPHNEIXQXJWWSF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03005002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-4.39

Polar Surface Area

105.409

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8018-8948 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8948?
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What is the minimum amount of 8018-8948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8948
  • 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 8018-8948 available by request