8014-1555 Screening compound: methyl 2-{[(3-chlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate

8014-1555 Screening compound: methyl 2-{[(3-chlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
8014-1555 Screening compound: methyl 2-{[(3-chlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1555
methyl 2-{[(3-chlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)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

8014-1555

Molecular Formula

C19H15ClF3N3O3 (C19 H15 ClF3 N3 O3)

Compound Name

methyl 2-{[(3-chlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate

IUPAC name

methyl 2-{[(3-chlorophenyl)carbamoyl]amino}-333-trifluoro-2-(1H-indol-3-yl)propanoate

SMILES

COC(C(C(F)(F)F)(c1c[nH]c2c1cccc2)NC(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C19H15ClF3N3O3/c1-29-16(27)18(19(21,22)23,14-10-24-15-8-3-2-7-13(14)15)26-17(28)25-12-6-4-5-11(20)9-12/h2-10,24H,1H3,(H2,25,26,28)/t18-/m1/s1

InChI Key

WIMFIMPMIYATHK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03767784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.488

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-6.03

Polar Surface Area

64.299

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8014-1555 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 8014-1555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1555?
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What is the minimum amount of 8014-1555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1555
  • 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 8014-1555 available by request