V012-7716 Screening compound: ETHYL 2-[3-(4-CHLOROPHENYL)-2,6-DIOXO-1-[(OXOLAN-2-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL]ACETATE

V012-7716 Screening compound: ETHYL 2-[3-(4-CHLOROPHENYL)-2,6-DIOXO-1-[(OXOLAN-2-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL]ACETATE
V012-7716 Screening compound: ETHYL 2-[3-(4-CHLOROPHENYL)-2,6-DIOXO-1-[(OXOLAN-2-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7716
ETHYL 2-[3-(4-CHLOROPHENYL)-2,6-DIOXO-1-[(OXOLAN-2-YL)METHYL]-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

V012-7716

Molecular Formula

C20H21ClN4O5 (C20 H21 ClN4 O5)

Compound Name

ETHYL 2-[3-(4-CHLOROPHENYL)-2,6-DIOXO-1-[(OXOLAN-2-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL]ACETATE

IUPAC name

n/a

SMILES

CCOC(Cn1c(C(N(CC2OCCC2)C(N2c(cc3)ccc3Cl)=O)=O)c2nc1)=O

InChI

InChI=1S/C20H21ClN4O5/c1-2-29-16(26)11-23-12-22-18-17(23)19(27)24(10-15-4-3-9-30-15)20(28)25(18)14-7-5-13(21)6-8-14/h5-8,12,15H,2-4,9-11H2,1H3/t15-/m1/s1

InChI Key

ZQMXNVJEZXNNLO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19920582

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

1.535

Water Solubility, LogSw

-2.45

Polar Surface Area

71.359

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V012-7716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7716?
Check Price and Availability of V012-7716, 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 V012-7716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7716
  • 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 V012-7716 available by request