V021-5660 Screening compound: prop-2-en-1-yl 5-(2,4-dimethylphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V021-5660 Screening compound: prop-2-en-1-yl 5-(2,4-dimethylphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V021-5660 Screening compound: prop-2-en-1-yl 5-(2,4-dimethylphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5660
prop-2-en-1-yl 5-(2,4-dimethylphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-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

V021-5660

Molecular Formula

C28H28FN3O3S (C28 H28 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)c(C2N(C(CC(NCc(cc3)ccc3F)=O)=CS3)C3=NC(C)=C2C(OCC=C)=O)cc1

InChI

InChI=1S/C28H28FN3O3S/c1-5-12-35-27(34)25-19(4)31-28-32(26(25)23-11-6-17(2)13-18(23)3)22(16-36-28)14-24(33)30-15-20-7-9-21(29)10-8-20/h5-11,13,16,26H,1,12,14-15H2,2-4H3,(H,30,33)/t26-/m1/s1

InChI Key

XROICQISCWKBMH-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19828497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.05

Polar Surface Area

56.904

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V021-5660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5660?
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What is the minimum amount of V021-5660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5660
  • 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 V021-5660 available by request