7591-0778 Screening compound: N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide

7591-0778 Screening compound: N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide
7591-0778 Screening compound: N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0778
N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide

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

7591-0778

Molecular Formula

C18H15F3N4O4 (C18 H15 F3 N4 O4)

Compound Name

N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide

IUPAC name

N-[1-(4-methylphenyl)-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]cyclopropanecarboxamide

SMILES

Cc(cc1)ccc1N(C(NC(C1(C(F)(F)F)NC(C2CC2)=O)=O)=C1C(N1)=O)C1=O

InChI

InChI=1S/C18H15F3N4O4/c1-8-2-6-10(7-3-8)25-12-11(14(27)23-16(25)29)17(15(28)22-12,18(19,20)21)24-13(26)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,22,28)(H,24,26)(H,23,27,29)/t17-/m0/s1

InChI Key

GCXROJZGHGCAGS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04174768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

-0.758

Water Solubility, LogSw

-2.32

Polar Surface Area

90.125

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 7591-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0778?
Check Price and Availability of 7591-0778, 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 7591-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0778
  • 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 7591-0778 available by request