V018-3536 Screening compound: prop-2-en-1-yl 5-(2,4-dimethylphenyl)-7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V018-3536 Screening compound: prop-2-en-1-yl 5-(2,4-dimethylphenyl)-7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V018-3536 Screening compound: prop-2-en-1-yl 5-(2,4-dimethylphenyl)-7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3536
prop-2-en-1-yl 5-(2,4-dimethylphenyl)-7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}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

V018-3536

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

prop-2-en-1-yl 5-(2,4-dimethylphenyl)-7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 5-(24-dimethylphenyl)-7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

Cc1cc(C)c(C2N(C(CC(NCc3ccncc3)=O)=CS3)C3=NC(C)=C2C(OCC=C)=O)cc1

InChI

InChI=1S/C27H28N4O3S/c1-5-12-34-26(33)24-19(4)30-27-31(25(24)22-7-6-17(2)13-18(22)3)21(16-35-27)14-23(32)29-15-20-8-10-28-11-9-20/h5-11,13,16,25H,1,12,14-15H2,2-4H3,(H,29,32)/t25-/m1/s1

InChI Key

WDDSSLDVVUCICP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19823688

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-3.76

Polar Surface Area

66.333

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V018-3536 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V018-3536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3536?
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What is the minimum amount of V018-3536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3536
  • 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 V018-3536 available by request