V010-3076 Screening compound: methyl 5-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}furan-2-carboxylate

V010-3076 Screening compound: methyl 5-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}furan-2-carboxylate
V010-3076 Screening compound: methyl 5-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3076
methyl 5-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}furan-2-carboxylate

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

V010-3076

Molecular Formula

C22H19ClN4O5 (C22 H19 ClN4 O5)

Compound Name

methyl 5-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}furan-2-carboxylate

IUPAC name

methyl 5-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}furan-2-carboxylate

SMILES

COC(c1ccc(Cn2c(C(N(CC3CC3)C(N3c4cccc(Cl)c4)=O)=O)c3nc2)o1)=O

InChI

InChI=1S/C22H19ClN4O5/c1-31-21(29)17-8-7-16(32-17)11-25-12-24-19-18(25)20(28)26(10-13-5-6-13)22(30)27(19)15-4-2-3-14(23)9-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3

InChI Key

BHEAULFQBHHMIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904743

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.87

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

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.30

Polar Surface Area

71.813

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V010-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3076?
Check Price and Availability of V010-3076, 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 V010-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3076
  • 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 V010-3076 available by request