6165-0188 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}pyridine-3-carboxamide

6165-0188 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}pyridine-3-carboxamide
6165-0188 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6165-0188
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}pyridine-3-carboxamide

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

6165-0188

Molecular Formula

C23H20F3N5O6 (C23 H20 F3 N5 O6)

Compound Name

N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}pyridine-3-carboxamide

IUPAC name

N-{1-[2-(34-dimethoxyphenyl)ethyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}pyridine-3-carboxamide

SMILES

COc(ccc(CCN(C(NC(C1(C(F)(F)F)NC(c2cnccc2)=O)=O)=C1C(N1)=O)C1=O)c1)c1OC

InChI

InChI=1S/C23H20F3N5O6/c1-36-14-6-5-12(10-15(14)37-2)7-9-31-17-16(19(33)29-21(31)35)22(20(34)28-17,23(24,25)26)30-18(32)13-4-3-8-27-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,28,34)(H,30,32)(H,29,33,35)/t22-/m0/s1

InChI Key

SWHHVRQRIJTRTF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03767909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.112

Distribution Coefficient, logD

-2.734

Water Solubility, LogSw

-1.48

Polar Surface Area

114.971

Acid Dissociation Constant (pKa)

3.55

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 6165-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0188?
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What is the minimum amount of 6165-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0188
  • 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 6165-0188 available by request