V012-8814 Screening compound: methyl 3-[2-(4-benzylpiperidino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V012-8814 Screening compound: methyl 3-[2-(4-benzylpiperidino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V012-8814 Screening compound: methyl 3-[2-(4-benzylpiperidino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8814
methyl 3-[2-(4-benzylpiperidino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

V012-8814

Molecular Formula

C30H33N3O4S (C30 H33 N3 O4 S)

Compound Name

methyl 3-[2-(4-benzylpiperidino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(N2CCC(Cc3ccccc3)CC2)=O)N1C1c2cc(OC)ccc2)=C1C(OC)=O

InChI

InChI=1S/C30H33N3O4S/c1-20-27(29(35)37-3)28(23-10-7-11-25(17-23)36-2)33-24(19-38-30(33)31-20)18-26(34)32-14-12-22(13-15-32)16-21-8-5-4-6-9-21/h4-11,17,19,22,28H,12-16,18H2,1-3H3/t28-/m1/s1

InChI Key

MAVMAGAVDROFRP-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19974690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-5.34

Polar Surface Area

56.224

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.67

References: we are preparing a list of scientific research reports with V012-8814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8814?
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What is the minimum amount of V012-8814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8814
  • 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 V012-8814 available by request