V019-6796 Screening compound: benzyl 3-{[(2-methoxyethyl)carbamoyl]methyl}-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V019-6796 Screening compound: benzyl 3-{[(2-methoxyethyl)carbamoyl]methyl}-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V019-6796 Screening compound: benzyl 3-{[(2-methoxyethyl)carbamoyl]methyl}-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-6796
benzyl 3-{[(2-methoxyethyl)carbamoyl]methyl}-7-methyl-5-(3-phenoxyphenyl)-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

V019-6796

Molecular Formula

C32H31N3O5S (C32 H31 N3 O5 S)

Compound Name

benzyl 3-{[(2-methoxyethyl)carbamoyl]methyl}-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

benzyl 3-{[(2-methoxyethyl)carbamoyl]methyl}-7-methyl-5-(3-phenoxyphenyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCCOC)=O)N1C1c2cc(Oc3ccccc3)ccc2)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C32H31N3O5S/c1-22-29(31(37)39-20-23-10-5-3-6-11-23)30(24-12-9-15-27(18-24)40-26-13-7-4-8-14-26)35-25(21-41-32(35)34-22)19-28(36)33-16-17-38-2/h3-15,18,21,30H,16-17,19-20H2,1-2H3,(H,33,36)/t30-/m1/s1

InChI Key

WHMMVSGCCPXINO-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19826356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.087

Distribution Coefficient, logD

5.087

Water Solubility, LogSw

-5.14

Polar Surface Area

71.917

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

V019-6796 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V019-6796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-6796?
Check Price and Availability of V019-6796, 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 V019-6796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-6796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-6796
  • 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 V019-6796 available by request