V021-5658 Screening compound: benzyl 5-(3,5-dimethoxyphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V021-5658 Screening compound: benzyl 5-(3,5-dimethoxyphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V021-5658 Screening compound: benzyl 5-(3,5-dimethoxyphenyl)-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 V021-5658
benzyl 5-(3,5-dimethoxyphenyl)-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

V021-5658

Molecular Formula

C32H30FN3O5S (C32 H30 FN3 O5 S)

Compound Name

benzyl 5-(3,5-dimethoxyphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

benzyl 5-(35-dimethoxyphenyl)-3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCc(cc2)ccc2F)=O)N1C1c2cc(OC)cc(OC)c2)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C32H30FN3O5S/c1-20-29(31(38)41-18-22-7-5-4-6-8-22)30(23-13-26(39-2)16-27(14-23)40-3)36-25(19-42-32(36)35-20)15-28(37)34-17-21-9-11-24(33)12-10-21/h4-14,16,19,30H,15,17-18H2,1-3H3,(H,34,37)/t30-/m1/s1

InChI Key

PKLITIRQPUZJTA-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19828432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-5.16

Polar Surface Area

71.802

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

References: we are preparing a list of scientific research reports with V021-5658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5658?
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What is the minimum amount of V021-5658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5658
  • 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 V021-5658 available by request