V019-6988 Screening compound: benzyl 3-{[(butan-2-yl)carbamoyl]methyl}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V019-6988 Screening compound: benzyl 3-{[(butan-2-yl)carbamoyl]methyl}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V019-6988 Screening compound: benzyl 3-{[(butan-2-yl)carbamoyl]methyl}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-6988
benzyl 3-{[(butan-2-yl)carbamoyl]methyl}-5-(2-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

V019-6988

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CC(N1C2c(cccc3)c3OC)=CSC1=NC(C)=C2C(OCc1ccccc1)=O)=O

InChI

InChI=1S/C28H31N3O4S/c1-5-18(2)29-24(32)15-21-17-36-28-30-19(3)25(27(33)35-16-20-11-7-6-8-12-20)26(31(21)28)22-13-9-10-14-23(22)34-4/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,29,32)

InChI Key

UOWVFYXSPVQDQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.83

Polar Surface Area

64.058

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

V019-6988 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V019-6988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-6988?
Check Price and Availability of V019-6988, 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 V019-6988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-6988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-6988
  • 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 V019-6988 available by request