V010-9648 Screening compound: 3-[(butan-2-yl)({3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl})amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

V010-9648 Screening compound: 3-[(butan-2-yl)({3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl})amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
V010-9648 Screening compound: 3-[(butan-2-yl)({3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl})amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9648
3-[(butan-2-yl)({3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl})amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

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

V010-9648

Molecular Formula

C27H34ClN5O2S (C27 H34 ClN5 O2 S)

Compound Name

3-[(butan-2-yl)({3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl})amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[(butan-2-yl)({3-[(3-methoxyphenyl)methyl]-124-thiadiazol-5-yl})amino]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

SMILES

CCC(C)N(CCC(N(CC1)CCN1c1cccc(Cl)c1)=O)c1nc(Cc2cc(OC)ccc2)ns1

InChI

InChI=1S/C27H34ClN5O2S/c1-4-20(2)33(27-29-25(30-36-27)18-21-7-5-10-24(17-21)35-3)12-11-26(34)32-15-13-31(14-16-32)23-9-6-8-22(28)19-23/h5-10,17,19-20H,4,11-16,18H2,1-3H3/t20-/m0/s1

InChI Key

ZSUISAQIJOMWQH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19759386

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.12

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.864

Distribution Coefficient, logD

5.864

Water Solubility, LogSw

-5.87

Polar Surface Area

51.109

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V010-9648 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-9648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9648?
Check Price and Availability of V010-9648, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V010-9648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9648
  • 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 V010-9648 available by request