6056-1346 Screening compound: methyl 1-(carbamoylmethyl)-3-(2,2,2-trifluoroacetyl)-1H-indole-6-carboxylate

6056-1346 Screening compound: methyl 1-(carbamoylmethyl)-3-(2,2,2-trifluoroacetyl)-1H-indole-6-carboxylate
6056-1346 Screening compound: methyl 1-(carbamoylmethyl)-3-(2,2,2-trifluoroacetyl)-1H-indole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-1346
methyl 1-(carbamoylmethyl)-3-(2,2,2-trifluoroacetyl)-1H-indole-6-carboxylate

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

6056-1346

Molecular Formula

C14H11F3N2O4 (C14 H11 F3 N2 O4)

Compound Name

methyl 1-(carbamoylmethyl)-3-(2,2,2-trifluoroacetyl)-1H-indole-6-carboxylate

IUPAC name

methyl 1-(carbamoylmethyl)-3-(222-trifluoroacetyl)-1H-indole-6-carboxylate

SMILES

COC(c(cc1)cc2c1c(C(C(F)(F)F)=O)cn2CC(N)=O)=O

InChI

InChI=1S/C14H11F3N2O4/c1-23-13(22)7-2-3-8-9(12(21)14(15,16)17)5-19(6-11(18)20)10(8)4-7/h2-5H,6H2,1H3,(H2,18,20)

InChI Key

REBASJHXTCAMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-2.55

Polar Surface Area

70.542

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 6056-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-1346?
Check Price and Availability of 6056-1346, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6056-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-1346
  • 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 6056-1346 available by request