8014-0266 Screening compound: methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-({6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl}amino)propanoate

8014-0266 Screening compound: methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-({6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl}amino)propanoate
8014-0266 Screening compound: methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-({6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0266
methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-({6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl}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

8014-0266

Molecular Formula

C21H12Cl2F9N3O4S (C21 H12 Cl2 F9 N3 O4 S)

Compound Name

methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-({6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-benzothiazol-2-yl}amino)propanoate

IUPAC name

methyl 2-[(24-dichlorophenyl)formamido]-333-trifluoro-2-{[6-(111333-hexafluoro-2-hydroxypropan-2-yl)-13-benzothiazol-2-yl]amino}propanoate

SMILES

COC(C(C(F)(F)F)(NC(c(ccc(Cl)c1)c1Cl)=O)Nc1nc(ccc(C(C(F)(F)F)(C(F)(F)F)O)c2)c2s1)=O

InChI

InChI=1S/C21H12Cl2F9N3O4S/c1-39-15(37)18(21(30,31)32,34-14(36)10-4-3-9(22)7-11(10)23)35-16-33-12-5-2-8(6-13(12)40-16)17(38,19(24,25)26)20(27,28)29/h2-7,38H,1H3,(H,33,35)(H,34,36)/t18-/m1/s1

InChI Key

FWNHESCTZLKJBR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03302663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.923

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-6.13

Polar Surface Area

79.530

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8014-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0266?
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What is the minimum amount of 8014-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0266
  • 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 8014-0266 available by request