V005-0951 Screening compound: methyl 3-[({bicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V005-0951 Screening compound: methyl 3-[({bicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V005-0951 Screening compound: methyl 3-[({bicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0951
methyl 3-[({bicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]-5-(2-chlorophenyl)-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

V005-0951

Molecular Formula

C24H26ClN3O3S (C24 H26 ClN3 O3 S)

Compound Name

methyl 3-[({bicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 3-[({bicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]-5-(2-chlorophenyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NC2C(CC3)CC3C2)=O)N1C1c(cccc2)c2Cl)=C1C(OC)=O

InChI

InChI=1S/C24H26ClN3O3S/c1-13-21(23(30)31-2)22(17-5-3-4-6-18(17)25)28-16(12-32-24(28)26-13)11-20(29)27-19-10-14-7-8-15(19)9-14/h3-6,12,14-15,19,22H,7-11H2,1-2H3,(H,27,29)

InChI Key

OFOQUEPDIVFAEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19974459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.73

Polar Surface Area

57.798

Acid Dissociation Constant (pKa)

16.09

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with V005-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0951?
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What is the minimum amount of V005-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0951
  • 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 V005-0951 available by request