V012-6978 Screening compound: ethyl 2-[3-(4-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate

V012-6978 Screening compound: ethyl 2-[3-(4-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate
V012-6978 Screening compound: ethyl 2-[3-(4-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6978
ethyl 2-[3-(4-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate

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

V012-6978

Molecular Formula

C18H19FN4O4 (C18 H19 FN4 O4)

Compound Name

ethyl 2-[3-(4-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate

IUPAC name

ethyl 2-[3-(4-fluorophenyl)-26-dioxo-1-(propan-2-yl)-2367-tetrahydro-1H-purin-7-yl]acetate

SMILES

CCOC(Cn1c(C(N(C(C)C)C(N2c(cc3)ccc3F)=O)=O)c2nc1)=O

InChI

InChI=1S/C18H19FN4O4/c1-4-27-14(24)9-21-10-20-16-15(21)17(25)22(11(2)3)18(26)23(16)13-7-5-12(19)6-8-13/h5-8,10-11H,4,9H2,1-3H3

InChI Key

QKSRPYAWLLSPOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904499

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

374.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.08

Polar Surface Area

62.697

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V012-6978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6978?
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What is the minimum amount of V012-6978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6978
  • 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 V012-6978 available by request