8017-0644 Screening compound: ethyl 3-(2-chlorophenyl)-3-[(2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetyl)amino]propanoate

8017-0644 Screening compound: ethyl 3-(2-chlorophenyl)-3-[(2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetyl)amino]propanoate
8017-0644 Screening compound: ethyl 3-(2-chlorophenyl)-3-[(2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0644
ethyl 3-(2-chlorophenyl)-3-[(2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetyl)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

8017-0644

Molecular Formula

C21H19ClF3N5O3 (C21 H19 ClF3 N5 O3)

Compound Name

ethyl 3-(2-chlorophenyl)-3-[(2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetyl)amino]propanoate

IUPAC name

ethyl 3-(2-chlorophenyl)-3-(2-{5-[4-(trifluoromethyl)phenyl]-2H-1234-tetrazol-2-yl}acetamido)propanoate

SMILES

CCOC(CC(c(cccc1)c1Cl)NC(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)=O)=O

InChI

InChI=1S/C21H19ClF3N5O3/c1-2-33-19(32)11-17(15-5-3-4-6-16(15)22)26-18(31)12-30-28-20(27-29-30)13-7-9-14(10-8-13)21(23,24)25/h3-10,17H,2,11-12H2,1H3,(H,26,31)/t17-/m0/s1

InChI Key

ARTLSRBONHPAAV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06013795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.36

Polar Surface Area

82.602

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8017-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0644?
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What is the minimum amount of 8017-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0644
  • 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 8017-0644 available by request