7591-0744 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-methylbutanamide

7591-0744 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-methylbutanamide
7591-0744 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0744
N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-methylbutanamide

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

7591-0744

Molecular Formula

C17H17F3N4O5 (C17 H17 F3 N4 O5)

Compound Name

N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-methylbutanamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}-3-methylbutanamide

SMILES

CC(C)CC(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(Cc3ccco3)C1=O)C2=O)=O

InChI

InChI=1S/C17H17F3N4O5/c1-8(2)6-10(25)23-16(17(18,19)20)11-12(21-14(16)27)24(15(28)22-13(11)26)7-9-4-3-5-29-9/h3-5,8H,6-7H2,1-2H3,(H,21,27)(H,23,25)(H,22,26,28)/t16-/m0/s1

InChI Key

ZONZMWUTIHTMHG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04157979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.709

Distribution Coefficient, logD

-0.682

Water Solubility, LogSw

-2.33

Polar Surface Area

98.020

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

7591-0744 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7591-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0744?
Check Price and Availability of 7591-0744, 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 7591-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0744
  • 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 7591-0744 available by request