V018-7683 Screening compound: methyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V018-7683 Screening compound: methyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V018-7683 Screening compound: methyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7683
methyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-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

V018-7683

Molecular Formula

C27H28FN3O3S (C27 H28 FN3 O3 S)

Compound Name

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

IUPAC name

methyl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)c1ccc(C2N(C(CC(NCc(cc3)ccc3F)=O)=CS3)C3=NC(C)=C2C(OC)=O)cc1

InChI

InChI=1S/C27H28FN3O3S/c1-16(2)19-7-9-20(10-8-19)25-24(26(33)34-4)17(3)30-27-31(25)22(15-35-27)13-23(32)29-14-18-5-11-21(28)12-6-18/h5-12,15-16,25H,13-14H2,1-4H3,(H,29,32)/t25-/m1/s1

InChI Key

JDAXKTLXCDMGJA-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19822429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.963

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.65

Polar Surface Area

57.030

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V018-7683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7683?
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What is the minimum amount of V018-7683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7683
  • 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 V018-7683 available by request