V015-1118 Screening compound: 2-[({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)sulfanyl]-5-methyl-1,3-benzoxazole

V015-1118 Screening compound: 2-[({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)sulfanyl]-5-methyl-1,3-benzoxazole
V015-1118 Screening compound: 2-[({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)sulfanyl]-5-methyl-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1118
2-[({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)sulfanyl]-5-methyl-1,3-benzoxazole

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

V015-1118

Molecular Formula

C23H21ClN4O2S2 (C23 H21 ClN4 O2 S2)

Compound Name

2-[({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)sulfanyl]-5-methyl-1,3-benzoxazole

IUPAC name

2-[({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-13-thiazol-2-yl}methyl)sulfanyl]-5-methyl-13-benzoxazole

SMILES

Cc(cc1)cc2c1oc(SCc1nc(C(N(CC3)CCN3c3cccc(Cl)c3)=O)cs1)n2

InChI

InChI=1S/C23H21ClN4O2S2/c1-15-5-6-20-18(11-15)26-23(30-20)32-14-21-25-19(13-31-21)22(29)28-9-7-27(8-10-28)17-4-2-3-16(24)12-17/h2-6,11-13H,7-10,14H2,1H3

InChI Key

HYPSQIPDIUYOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14244687

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.80

Polar Surface Area

47.040

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V015-1118 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1118?
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What is the minimum amount of V015-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1118
  • 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 V015-1118 available by request