8019-1450 Screening compound: methyl N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]carbamate

8019-1450 Screening compound: methyl N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]carbamate
8019-1450 Screening compound: methyl N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1450
methyl N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]carbamate

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

8019-1450

Molecular Formula

C11H11F3N4O5 (C11 H11 F3 N4 O5)

Compound Name

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

IUPAC name

methyl N-[13-dimethyl-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]carbamate

SMILES

CN(C(NC(C1(C(F)(F)F)NC(OC)=O)=O)=C1C(N1C)=O)C1=O

InChI

InChI=1S/C11H11F3N4O5/c1-17-5-4(6(19)18(2)9(17)22)10(7(20)15-5,11(12,13)14)16-8(21)23-3/h1-3H3,(H,15,20)(H,16,21)/t10-/m0/s1

InChI Key

SCSHDMCVKBOOAS-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05999047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.130

Distribution Coefficient, logD

-3.138

Water Solubility, LogSw

-1.17

Polar Surface Area

90.110

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

8019-1450 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1450?
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What is the minimum amount of 8019-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1450
  • 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 8019-1450 available by request