7757-0208 Screening compound: 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate

7757-0208 Screening compound: 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate
7757-0208 Screening compound: 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7757-0208
3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate

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

7757-0208

Molecular Formula

C17H18FN5O4 (C17 H18 FN5 O4)

Compound Name

3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate

IUPAC name

3-[(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate

SMILES

CN(c1c(C(N2C)=O)[nH]c(NCCCOC(c(cccc3)c3F)=O)n1)C2=O

InChI

InChI=1S/C17H18FN5O4/c1-22-13-12(14(24)23(2)17(22)26)20-16(21-13)19-8-5-9-27-15(25)10-6-3-4-7-11(10)18/h3-4,6-7H,5,8-9H2,1-2H3,(H2,19,20,21)

InChI Key

WAZNSZASSLWKCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06191825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-2.92

Polar Surface Area

85.333

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 7757-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7757-0208?
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What is the minimum amount of 7757-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7757-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7757-0208
  • 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 7757-0208 available by request