V002-1112 Screening compound: 3-[N-(butan-2-yl)-1-(4-hexylphenyl)formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

V002-1112 Screening compound: 3-[N-(butan-2-yl)-1-(4-hexylphenyl)formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
V002-1112 Screening compound: 3-[N-(butan-2-yl)-1-(4-hexylphenyl)formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1112
3-[N-(butan-2-yl)-1-(4-hexylphenyl)formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

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

V002-1112

Molecular Formula

C28H35ClN4O2S (C28 H35 ClN4 O2 S)

Compound Name

3-[N-(butan-2-yl)-1-(4-hexylphenyl)formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[N-(butan-2-yl)-1-(4-hexylphenyl)formamido]-N-[5-(3-chlorophenyl)-134-thiadiazol-2-yl]propanamide

SMILES

CCCCCCc(cc1)ccc1C(N(CCC(Nc1nnc(-c2cccc(Cl)c2)s1)=O)C(C)CC)=O

InChI

InChI=1S/C28H35ClN4O2S/c1-4-6-7-8-10-21-13-15-22(16-14-21)27(35)33(20(3)5-2)18-17-25(34)30-28-32-31-26(36-28)23-11-9-12-24(29)19-23/h9,11-16,19-20H,4-8,10,17-18H2,1-3H3,(H,30,32,34)/t20-/m0/s1

InChI Key

SUOAEDQPFSMVLW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19716744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.334

Distribution Coefficient, logD

8.334

Water Solubility, LogSw

-6.36

Polar Surface Area

62.179

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V002-1112 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V002-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1112?
Check Price and Availability of V002-1112, 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 V002-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1112
  • 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 V002-1112 available by request