V002-1183 Screening compound: 3-[1-(3-bromophenyl)-N-(butan-2-yl)formamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

V002-1183 Screening compound: 3-[1-(3-bromophenyl)-N-(butan-2-yl)formamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
V002-1183 Screening compound: 3-[1-(3-bromophenyl)-N-(butan-2-yl)formamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1183
3-[1-(3-bromophenyl)-N-(butan-2-yl)formamido]-N-[5-(4-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

V002-1183

Molecular Formula

C22H22BrClN4O2S (C22 H22 BrClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(CCC(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C22H22BrClN4O2S/c1-3-14(2)28(21(30)16-5-4-6-17(23)13-16)12-11-19(29)25-22-27-26-20(31-22)15-7-9-18(24)10-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27,29)/t14-/m0/s1

InChI Key

JWKYEIUSPZZVDO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19719718

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-6.19

Polar Surface Area

62.179

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V002-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1183?
Check Price and Availability of V002-1183, 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 V002-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1183
  • 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 V002-1183 available by request